2IC3
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5CYM
| HIV-1 reverse transcriptase complexed with 4-iodopyrazole | Descriptor: | 1,2-ETHANEDIOL, 4-IODOPYRAZOLE, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | Authors: | Bauman, J.D, Arnold, E. | Deposit date: | 2015-07-30 | Release date: | 2015-12-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Rapid experimental SAD phasing and hot spot identification with halogenated fragments Iucrj, 3, 2016
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7O24
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7O0G
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5CYQ
| HIV-1 reverse transcriptase complexed with 4-bromopyrazole | Descriptor: | 4-bromo-1H-pyrazole, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, BROMIDE ION, ... | Authors: | Bauman, J.D, Arnold, E. | Deposit date: | 2015-07-30 | Release date: | 2015-12-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.147 Å) | Cite: | Rapid experimental SAD phasing and hot-spot identification with halogenated fragments. IUCrJ, 3, 2016
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8X22
| HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/L74V:DNA:dGTP ternary complex | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ... | Authors: | Yasutake, Y, Hattori, S.I, Mitsuya, H. | Deposit date: | 2023-11-09 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Deviated binding of anti-HBV nucleoside analog E-CFCP-TP to the reverse transcriptase active site attenuates the effect of drug-resistant mutations. Sci Rep, 14, 2024
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8X1Z
| HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y:DNA:E-CFCP-TP ternary complex | Descriptor: | DNA/RNA (38-MER), E-CFCP-triphosphate, GLYCEROL, ... | Authors: | Yasutake, Y, Hattori, S.I, Mitsuya, H. | Deposit date: | 2023-11-09 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Deviated binding of anti-HBV nucleoside analog E-CFCP-TP to the reverse transcriptase active site attenuates the effect of drug-resistant mutations. Sci Rep, 14, 2024
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8X21
| HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/L74V:DNA:ETV-TP ternary complex | Descriptor: | DNA/RNA (38-MER), GLYCEROL, HIV-1 RT p51 subunit, ... | Authors: | Yasutake, Y, Hattori, S.I, Mitsuya, H. | Deposit date: | 2023-11-09 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Deviated binding of anti-HBV nucleoside analog E-CFCP-TP to the reverse transcriptase active site attenuates the effect of drug-resistant mutations. Sci Rep, 14, 2024
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8X20
| HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/L74V:DNA:E-CFCP-TP ternary complex | Descriptor: | DNA/RNA (38-MER), E-CFCP-triphosphate, GLYCEROL, ... | Authors: | Yasutake, Y, Hattori, S.I, Mitsuya, H. | Deposit date: | 2023-11-09 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Deviated binding of anti-HBV nucleoside analog E-CFCP-TP to the reverse transcriptase active site attenuates the effect of drug-resistant mutations. Sci Rep, 14, 2024
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5J2M
| HIV-1 reverse transcriptase in complex with DNA and EFdA-triphosphate, a translocation-defective RT inhibitor | Descriptor: | 2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(tetrahydrogen triphosphate), DNA (27-MER), DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3'), ... | Authors: | Salie, Z.L, Kirby, K.A, Sarafianos, S.G. | Deposit date: | 2016-03-29 | Release date: | 2016-08-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.432 Å) | Cite: | Structural basis of HIV inhibition by translocation-defective RT inhibitor 4'-ethynyl-2-fluoro-2'-deoxyadenosine (EFdA). Proc.Natl.Acad.Sci.USA, 113, 2016
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5J2P
| HIV-1 reverse transcriptase in complex with DNA that has incorporated EFdA-MP at the P-(post-translocation) site and a second EFdA-MP at the N-(pre-translocation) site | Descriptor: | 2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(dihydrogen phosphate), DNA (27-MER), DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(6FM)P*(6FM))-3'), ... | Authors: | Salie, Z.L, Kirby, K.A, Sarafianos, S.G. | Deposit date: | 2016-03-29 | Release date: | 2016-08-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structural basis of HIV inhibition by translocation-defective RT inhibitor 4'-ethynyl-2-fluoro-2'-deoxyadenosine (EFdA). Proc.Natl.Acad.Sci.USA, 113, 2016
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5D3G
| Structure of HIV-1 Reverse Transcriptase Bound to a Novel 38-mer Hairpin Template-Primer DNA Aptamer | Descriptor: | DNA aptamer (38-MER), GLYCEROL, HIV-1 REVERSE TRANSCRIPTASE P51 subunit, ... | Authors: | Miller, M.T, Tuske, S, Das, K, Arnold, E. | Deposit date: | 2015-08-06 | Release date: | 2015-09-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of HIV-1 reverse transcriptase bound to a novel 38-mer hairpin template-primer DNA aptamer. Protein Sci., 25, 2016
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2HNY
| Crystal Structure of E138K Mutant HIV-1 Reverse Transcriptase in Complex with Nevirapine | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Ren, J, Nichols, C.E, Stamp, A, Chamberlain, P.P, Stammers, D.K. | Deposit date: | 2006-07-13 | Release date: | 2006-09-05 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insights into mechanisms of non-nucleoside drug resistance for HIV-1 reverse transcriptases mutated at codons 101 or 138. Febs J., 273, 2006
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2HND
| Crystal Structure of K101E Mutant HIV-1 Reverse Transcriptase in Complex with Nevirapine | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Ren, J, Nichols, C.E, Stamp, A, Chamberlain, P.P, Stammers, D.K. | Deposit date: | 2006-07-12 | Release date: | 2006-09-05 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insights into mechanisms of non-nucleoside drug resistance for HIV-1 reverse transcriptases mutated at codons 101 or 138. Febs J., 273, 2006
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2JLE
| Novel indazole nnrtis created using molecular template hybridization based on crystallographic overlays | Descriptor: | 5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile, REVERSE TRANSCRIPTASE/RNASEH | Authors: | Jones, L.H, Allan, G, Barba, O, Burt, C, Corbau, R, Dupont, T, Irving, S, Mowbray, C.E, Phillips, C, Swain, N.A, Webster, R, Westby, M. | Deposit date: | 2008-09-08 | Release date: | 2009-08-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Novel Indazole Non-Nucleoside Reverse Transcriptase Inhibitors Using Molecular Hybridization Based on Crystallographic Overlays. J.Med.Chem., 52, 2009
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5C42
| Crystal Structure of HIV-1 Reverse Transcriptase (K101P) Variant in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)indolizine-2-carbonitrile (JLJ555), a non-nucleoside inhibitor | Descriptor: | 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile, HIV-1 Reverse Transcriptase, p51 subunit, ... | Authors: | Frey, K.M, Gray, W.T, Anderson, K.S. | Deposit date: | 2015-06-17 | Release date: | 2015-11-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Potent Inhibitors Active against HIV Reverse Transcriptase with K101P, a Mutation Conferring Rilpivirine Resistance. Acs Med.Chem.Lett., 6, 2015
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5DMQ
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2IAJ
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6UIS
| HIV-1 M184V reverse transcriptase-DNA complex with dCTP | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Primer DNA, ... | Authors: | Lansdon, E.B. | Deposit date: | 2019-10-01 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.74833822 Å) | Cite: | 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 | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile, MAGNESIUM ION, ... | Authors: | Ruiz, F.X, Pilch, A, Arnold, E. | Deposit date: | 2019-10-06 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | 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
| HIV-1 M184V reverse transcriptase-DNA complex with (-)-FTC-TP | Descriptor: | MAGNESIUM ION, Primer DNA, SULFATE ION, ... | Authors: | Lansdon, E.B. | Deposit date: | 2019-10-01 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.63900113 Å) | Cite: | 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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6UJX
| HIV-1 wild-type reverse transcriptase-DNA complex with (-)-FTC-TP | Descriptor: | DNA primer, DNA template, MAGNESIUM ION, ... | Authors: | Lansdon, E.B. | Deposit date: | 2019-10-03 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.70451212 Å) | Cite: | 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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6UJY
| HIV-1 wild-type reverse transcriptase-DNA complex with (-)-3TC-TP | Descriptor: | Lamivudine Triphosphate, MAGNESIUM ION, SULFATE ION, ... | Authors: | Lansdon, E.B. | Deposit date: | 2019-10-03 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.59456086 Å) | Cite: | 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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6UJZ
| HIV-1 wild-type reverse transcriptase-DNA complex with (+)-FTC-TP | Descriptor: | 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, ... | Authors: | Lansdon, E.B. | Deposit date: | 2019-10-03 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.55642557 Å) | Cite: | 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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2RKI
| Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with a triazole derived NNRTI | Descriptor: | 4-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5-thiophen-2-yl-4H-1,2,4-triazole, CHLORIDE ION, GLYCEROL, ... | Authors: | Lansdon, E.B, Kirschberg, T.A. | Deposit date: | 2007-10-16 | Release date: | 2008-04-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Triazole derivatives as non-nucleoside inhibitors of HIV-1 reverse transcriptase-structure-activity relationships and crystallographic analysis. Bioorg.Med.Chem.Lett., 18, 2008
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