5VQY
 
 | | Crystal Structure of HIV-1 Reverse Transcriptase (K103N, Y181C) Variant in Complex with N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)-N-methylacrylamide (JLJ684), a Non-nucleoside Inhibitor | | 分子名称: | N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylpropanamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | | 著者 | Chan, A.H, Anderson, K.S. | | 登録日 | 2017-05-09 | | 公開日 | 2017-08-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6UIS
 | | HIV-1 M184V reverse transcriptase-DNA complex with dCTP | | 分子名称: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Primer DNA, ... | | 著者 | Lansdon, E.B. | | 登録日 | 2019-10-01 | | 公開日 | 2019-12-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.74833822 Å) | | 主引用文献 | Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance.
Commun Biol, 2, 2019
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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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6UIR
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6UJX
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5VQU
 | | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) Variant in Complex with N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)-2-fluoro-N-methylacetamide (JLJ683), a Non-nucleoside Inhibitor | | 分子名称: | N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-2-fluoro-N-methylacetamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | | 著者 | Petrova, Z.O, Chan, A.H, Anderson, K.S. | | 登録日 | 2017-05-09 | | 公開日 | 2017-08-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5VQW
 | | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) Variant in Complex with N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)acrylamide (JLJ685), a Non-nucleoside Inhibitor | | 分子名称: | N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)prop-2-enamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | | 著者 | Chan, A.H, Kudalkar, S.N, Anderson, K.S. | | 登録日 | 2017-05-09 | | 公開日 | 2017-08-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5XN2
 | | HIV-1 reverse transcriptase Q151M:DNA:dGTP ternary complex | | 分子名称: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 38-MER DNA aptamer, GLYCEROL, ... | | 著者 | Yasutake, Y, Tamura, N, Hayashi, H, Maeda, K. | | 登録日 | 2017-05-17 | | 公開日 | 2018-02-07 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.381 Å) | | 主引用文献 | HIV-1 with HBV-associated Q151M substitution in RT becomes highly susceptible to entecavir: structural insights into HBV-RT inhibition by entecavir.
Sci Rep, 8, 2018
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6UIT
 | | HIV-1 wild-type reverse transcriptase-DNA complex with dCTP | | 分子名称: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA primer, DNA template, ... | | 著者 | Lansdon, E.B. | | 登録日 | 2019-10-01 | | 公開日 | 2019-12-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.80607414 Å) | | 主引用文献 | Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance.
Commun Biol, 2, 2019
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6UK0
 | | HIV-1 M184V reverse transcriptase-DNA complex | | 分子名称: | MAGNESIUM ION, Primer DNA, SULFATE ION, ... | | 著者 | Lansdon, E.B. | | 登録日 | 2019-10-03 | | 公開日 | 2019-12-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.75695229 Å) | | 主引用文献 | Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance.
Commun Biol, 2, 2019
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5VQR
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)-N-methylacrylamide (JLJ684), a Non-nucleoside Inhibitor | | 分子名称: | N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylprop-2-enamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | | 著者 | Chan, A.H, Anderson, K.S. | | 登録日 | 2017-05-09 | | 公開日 | 2017-08-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5VQZ
 | | Crystal Structure of HIV-1 Reverse Transcriptase (K103N, Y181C) Variant in Complex with 2-chloro-N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)-N-methylacetamide (JLJ686), a Non-nucleoside Inhibitor | | 分子名称: | N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylacetamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | | 著者 | Buckingham, A.B, Chan, A.H, Anderson, K.S. | | 登録日 | 2017-05-09 | | 公開日 | 2017-08-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6UJY
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6UJZ
 | | HIV-1 wild-type reverse transcriptase-DNA complex with (+)-FTC-TP | | 分子名称: | MAGNESIUM ION, SULFATE ION, [[(2~{S},5~{R})-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate, ... | | 著者 | Lansdon, E.B. | | 登録日 | 2019-10-03 | | 公開日 | 2019-12-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.55642557 Å) | | 主引用文献 | Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance.
Commun Biol, 2, 2019
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5UV5
 | | Crystal Structure of a 2-Hydroxyisoquinoline-1,3-dione RNase H Active Site Inhibitor with Multiple Binding Modes to HIV Reverse Transcriptase | | 分子名称: | 7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ... | | 著者 | Kirby, K.A, Sarafianos, S.G. | | 登録日 | 2017-02-19 | | 公開日 | 2017-08-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | A 2-Hydroxyisoquinoline-1,3-Dione Active-Site RNase H Inhibitor Binds in Multiple Modes to HIV-1 Reverse Transcriptase.
Antimicrob. Agents Chemother., 61, 2017
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5XN0
 | | HIV-1 reverse transcriptase Q151M:DNA binary complex | | 分子名称: | 38-MER DNA aptamer, GLYCEROL, Pol protein, ... | | 著者 | Yasutake, Y, Tamura, N, Hayashi, H, Maeda, K. | | 登録日 | 2017-05-17 | | 公開日 | 2018-02-07 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.596 Å) | | 主引用文献 | HIV-1 with HBV-associated Q151M substitution in RT becomes highly susceptible to entecavir: structural insights into HBV-RT inhibition by entecavir.
Sci Rep, 8, 2018
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6WB0
 | | +3 extended HIV-1 reverse transcriptase initiation complex core (pre-translocation state) | | 分子名称: | HIV-1 viral RNA genome fragment, Reverse transcriptase/ribonuclease H, reverse transcriptase p51 subunit, ... | | 著者 | Larsen, K.P, Jackson, L.N, Kappel, K, Zhang, J, Puglisi, E.V. | | 登録日 | 2020-03-26 | | 公開日 | 2020-06-24 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | | 主引用文献 | Distinct Conformational States Underlie Pausing during Initiation of HIV-1 Reverse Transcription.
J.Mol.Biol., 432, 2020
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6WB1
 | | +3 extended HIV-1 reverse transcriptase initiation complex core (intermediate state) | | 分子名称: | HIV-1 viral RNA genome fragment, REVERSE TRANSCRIPTASE/RIBONUCLEASE H, reverse transcriptase p51 subunit, ... | | 著者 | Larsen, K.P, Jackson, L.N, Kappel, K, Zhang, J, Chen, D.H, Puglisi, E.V. | | 登録日 | 2020-03-26 | | 公開日 | 2020-06-24 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (4.7 Å) | | 主引用文献 | Distinct Conformational States Underlie Pausing during Initiation of HIV-1 Reverse Transcription.
J.Mol.Biol., 432, 2020
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6WAZ
 | | +1 extended HIV-1 reverse transcriptase initiation complex core (pre-translocation state) | | 分子名称: | HIV-1 viral RNA genome fragment, Reverse transcriptase p51 subunit, Reverse transcriptase/ribonuclease H, ... | | 著者 | Larsen, K.P, Jackson, L.N, Kappel, K, Zhang, J, Puglisi, E.V. | | 登録日 | 2020-03-26 | | 公開日 | 2020-06-24 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Distinct Conformational States Underlie Pausing during Initiation of HIV-1 Reverse Transcription.
J.Mol.Biol., 432, 2020
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5VQS
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)acrylamide (JLJ685), a Non-nucleoside Inhibitor | | 分子名称: | N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)prop-2-enamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | | 著者 | Chan, A.H, Anderson, K.S. | | 登録日 | 2017-05-09 | | 公開日 | 2017-08-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.504 Å) | | 主引用文献 | Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6WB2
 | | +3 extended HIV-1 reverse transcriptase initiation complex core (displaced state) | | 分子名称: | HIV-1 viral RNA genome fragment, Reverse transcriptase/ribonuclease H, reverse transcriptase p51 subunit, ... | | 著者 | Larsen, K.P, Jackson, L.N, Kappel, K, Zhang, J, Chen, D.H, Puglisi, E.V. | | 登録日 | 2020-03-26 | | 公開日 | 2020-06-24 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | Distinct Conformational States Underlie Pausing during Initiation of HIV-1 Reverse Transcription.
J.Mol.Biol., 432, 2020
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5VZ6
 | | HIV Reverse Transcriptase complexed with (E)-3-(pyrimidin-2-yl)-N-(5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl)acrylamide | | 分子名称: | 3-(pyrimidin-2-yl)-N-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanamide, HIV Reverse Transcriptase | | 著者 | Yan, Y, Su, H.P. | | 登録日 | 2017-05-26 | | 公開日 | 2018-05-30 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | HIV Reverse Transcriptase complexed with inhibitor
To Be Published
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5XN1
 | | HIV-1 reverse transcriptase Q151M:DNA:entecavir-triphosphate ternary complex | | 分子名称: | 38-MER DNA aptamer, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Yasutake, Y, Tamura, N, Hayashi, H, Maeda, K. | | 登録日 | 2017-05-17 | | 公開日 | 2018-02-07 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.446 Å) | | 主引用文献 | HIV-1 with HBV-associated Q151M substitution in RT becomes highly susceptible to entecavir: structural insights into HBV-RT inhibition by entecavir.
Sci Rep, 8, 2018
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3C6U
 | | Crystal Structure of HIV Reverse Transcriptase in complex with inhibitor 22 | | 分子名称: | 3-chloro-5-[2-chloro-5-(1H-indazol-3-ylmethoxy)phenoxy]benzonitrile, Reverse transcriptase | | 著者 | Yan, Y, Prasad, S. | | 登録日 | 2008-02-05 | | 公開日 | 2008-04-22 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | The design and synthesis of diaryl ether second generation HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) with enhanced potency versus key clinical mutations.
Bioorg.Med.Chem.Lett., 18, 2008
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3C6T
 | | Crystal Structure of HIV Reverse Transcriptase in complex with inhibitor 14 | | 分子名称: | 2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide, Reverse transcriptase | | 著者 | Yan, Y, Prasad, S. | | 登録日 | 2008-02-05 | | 公開日 | 2008-04-22 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | The design and synthesis of diaryl ether second generation HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) with enhanced potency versus key clinical mutations.
Bioorg.Med.Chem.Lett., 18, 2008
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