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7OZW
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BU of 7ozw by Molmil
Cryo-EM structure of HIV-1 reverse transcriptase with a DNA aptamer in complex with fragment 166 at the transient P-pocket
分子名称: (1~{R},2~{R})-2-phenyl-~{N}-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide, DNA (37-MER), Reverse transcriptase/ribonuclease H
著者Singh, A.K, Das, K.
登録日2021-06-28
公開日2021-12-08
最終更新日2021-12-22
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Sliding of HIV-1 reverse transcriptase over DNA creates a transient P pocket - targeting P-pocket by fragment screening.
Nat Commun, 12, 2021
7OZ2
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BU of 7oz2 by Molmil
Crystal structure of HIV-1 reverse transcriptase with a double stranded DNA showing a transient P-pocket
分子名称: CADMIUM ION, DNA (28-MER), DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*G)-3'), ...
著者Martinez, S.E, Singh, A.K, Das, K.
登録日2021-06-25
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Sliding of HIV-1 reverse transcriptase over DNA creates a transient P pocket - targeting P-pocket by fragment screening.
Nat Commun, 12, 2021
7OTZ
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BU of 7otz by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-259
分子名称: (S)-2-(2-(6-amino-9H-purin-9-yl)ethoxy)-3-phosphonopropanoic acid, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ...
著者Martinez, S.E, Singh, A.K, Gu, W, Das, K.
登録日2021-06-10
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
7Q5B
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BU of 7q5b by Molmil
Cryo-EM structure of Ty3 retrotransposon targeting a TFIIIB-bound tRNA gene
分子名称: DNA (19-MER), DNA (31-MER), DNA (34-MER), ...
著者Abascal-Palacios, G, Jochem, L, Pla-Prats, C, Beuron, F, Vannini, A.
登録日2021-11-03
公開日2022-01-26
実験手法ELECTRON MICROSCOPY (3.98 Å)
主引用文献Structural basis of Ty3 retrotransposon integration at RNA Polymerase III-transcribed genes.
Nat Commun, 12, 2021
7LRM
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BU of 7lrm by Molmil
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
7LRY
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BU of 7lry by Molmil
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
7LRI
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BU of 7lri by Molmil
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
7LRX
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BU of 7lrx by Molmil
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
7LSK
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BU of 7lsk by Molmil
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
7QXS
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BU of 7qxs by Molmil
Cryo-EM structure of human telomerase-DNA-TPP1-POT1 complex (with POT1 side chains)
分子名称: Adrenocortical dysplasia homolog (Mouse), isoform CRA_a, Histone H2A, ...
著者Sekne, Z, Ghanim, G.E, van Roon, A.M.M, Nguyen, T.H.D.
登録日2022-01-27
公開日2022-03-02
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (3.91 Å)
主引用文献Structural basis of human telomerase recruitment by TPP1-POT1.
Science, 375, 2022
7QXA
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BU of 7qxa by Molmil
Cryo-EM map of human telomerase-DNA-TPP1 complex (sharpened)
分子名称: Adrenocortical dysplasia homolog (Mouse), isoform CRA_a, Histone H2A, ...
著者Sekne, Z, Ghanim, G.E, van Roon, A.M.M, Nguyen, T.H.D.
登録日2022-01-26
公開日2022-03-02
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis of human telomerase recruitment by TPP1-POT1.
Science, 375, 2022
7QXB
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BU of 7qxb by Molmil
Cryo-EM map of human telomerase-DNA-TPP1-POT1 complex (sharpened map)
分子名称: Adrenocortical dysplasia homolog (Mouse), isoform CRA_a, Histone H2A, ...
著者Sekne, Z, Ghanim, G.E, van Roon, A.M.M, Nguyen, T.H.D.
登録日2022-01-26
公開日2022-03-02
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (3.91 Å)
主引用文献Structural basis of human telomerase recruitment by TPP1-POT1.
Science, 375, 2022
7SNZ
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BU of 7snz by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 6-((2-((4-cyanophenyl)amino)pyrimidin-4-yl)amino)-5,7-dimethylindolizine-2-carbonitrile (JLJ604)
分子名称: (4R)-6-{[2-(4-cyanoanilino)pyrimidin-4-yl]amino}-5,7-dimethylindolizine-2-carbonitrile, 1,4-DIAMINOBUTANE, MAGNESIUM ION, ...
著者Frey, K.M, Anderson, K.S.
登録日2021-10-28
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.368 Å)
主引用文献Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase.
Front Mol Biosci, 9, 2022
7SO6
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BU of 7so6 by Molmil
Crystal Structure of HIV-1 K103N, Y181C mutant Reverse Transcriptase in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-7-fluoro-2-naphthonitrile (JLJ635), a Non-nucleoside Inhibitor
分子名称: 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-7-fluoronaphthalene-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ...
著者Bertoletti, N, Frey, K.M, Anderson, K.S, Cisneros Trigo, J.A, Jorgensen, W.L, Chan, A.H.
登録日2021-10-29
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase.
Front Mol Biosci, 9, 2022
7SO2
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BU of 7so2 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase Y181C Variant in Complex with (E)-4-((4-((4-(2-cyanovinyl)-2,6-dimethylphenyl)amino)-6-(3-morpholinopropoxy)-1,3,5-triazin-2-yl)amino)benzonitrile (JLJ564)
分子名称: 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
著者Frey, K.M, Anderson, K.S.
登録日2021-10-29
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.089 Å)
主引用文献Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase.
Front Mol Biosci, 9, 2022
7SNP
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BU of 7snp by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-3-(3-chloro-5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-(2-morpholinoethoxy)phenoxy)phenyl)acrylonitrile (JLJ530)
分子名称: (2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-[2-(morpholin-4-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase p66, p51 RT
著者Frey, K.M, Anderson, K.S.
登録日2021-10-28
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase.
Front Mol Biosci, 9, 2022
7SO1
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BU of 7so1 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-4-((4-((4-(2-cyanovinyl)-2,6-dimethylphenyl)amino)-6-(3-morpholinopropoxy)-1,3,5-triazin-2-yl)amino)benzonitrile (JLJ564)
分子名称: 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile, Reverse transcriptase p66, p51 RT
著者Frey, K.M, Anderson, K.S.
登録日2021-10-28
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.727 Å)
主引用文献Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase.
Front Mol Biosci, 9, 2022
7SO4
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BU of 7so4 by Molmil
Crystal Structure of HIV-1 Y181C mutant Reverse Transcriptase in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-7-fluoro-2-naphthonitrile (JLJ635), a Non-nucleoside Inhibitor
分子名称: 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-7-fluoronaphthalene-2-carbonitrile, Reverse transcriptase/ribonuclease H, SULFATE ION, ...
著者Bertoletti, N, Anderson, K.S, Cisneros Trigo, J.A, Jorgensen, W.L, Frey, K.M, Chan, A.H.
登録日2021-10-29
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase.
Front Mol Biosci, 9, 2022
7SO3
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BU of 7so3 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase K103N/Y181C Variant in Complex with (E)-4-((4-((4-(2-cyanovinyl)-2,6-dimethylphenyl)amino)-6-(3-morpholinopropoxy)-1,3,5-triazin-2-yl)amino)benzonitrile (JLJ564)
分子名称: 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ...
著者Frey, K.M, Anderson, K.S.
登録日2021-10-29
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.767 Å)
主引用文献Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase.
Front Mol Biosci, 9, 2022
7KQN
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BU of 7kqn by Molmil
Ternary complex of TERT (telomerase reverse transcriptase) with RNA template, DNA primer, an incoming dGTP and a downstream hybrid duplex
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Choi, W.S, Weng, P.J, Yang, W.
登録日2020-11-17
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Flexibility of telomerase in binding the RNA template and DNA telomeric repeat.
Proc.Natl.Acad.Sci.USA, 119, 2022
7KQM
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BU of 7kqm by Molmil
Binary complex of TERT (telomerase reverse transcriptase) with RNA/telomeric DNA hybrid
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*TP*TP*CP*TP*TP*TP*GP*TP*GP*CP*AP*CP*CP*TP*G)-3'), ...
著者Choi, W.S, Weng, P.J, Yang, W.
登録日2020-11-17
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Flexibility of telomerase in binding the RNA template and DNA telomeric repeat.
Proc.Natl.Acad.Sci.USA, 119, 2022
7V99
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BU of 7v99 by Molmil
catalytic core of human telomerase holoenzyme
分子名称: Histone H2A type 1-B/E, Histone H2B type 1-K, Primer DNA, ...
著者Wan, F, Ding, Y, Yang, L, Wu, Z, Wu, J, Lei, M.
登録日2021-08-24
公開日2022-03-30
実験手法ELECTRON MICROSCOPY (3.54 Å)
主引用文献Zipper head mechanism of telomere synthesis by human telomerase.
Cell Res., 31, 2021
7TRD
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BU of 7trd by Molmil
Human telomerase catalytic core structure at 3.3 Angstrom
分子名称: Telomerase RNA, partial sequence, Telomerase reverse transcriptase, ...
著者Liu, B, He, Y, Wang, Y, Song, H, Zhou, Z.H, Feigon, J.
登録日2022-01-28
公開日2022-04-20
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of active human telomerase with telomere shelterin protein TPP1.
Nature, 604, 2022
7TRE
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BU of 7tre by Molmil
Human telomerase catalytic core with shelterin protein TPP1
分子名称: Adrenocortical dysplasia protein homolog, Telomerase RNA, partial sequence, ...
著者Liu, B, He, Y, Wang, Y, Song, H, Zhou, Z.H, Feigon, J.
登録日2022-01-28
公開日2022-04-20
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure of active human telomerase with telomere shelterin protein TPP1.
Nature, 604, 2022
7TRF
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BU of 7trf by Molmil
Human telomerase catalytic core RNP with H2A/H2B
分子名称: Histone H2A, Histone H2B type 1-C/E/F/G/I, Telomerase RNA, ...
著者Liu, B, He, Y, Wang, Y, Song, H, Zhou, Z.H, Feigon, J.
登録日2022-01-28
公開日2022-04-20
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structure of active human telomerase with telomere shelterin protein TPP1.
Nature, 604, 2022

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