7LSK
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![BU of 7lsk by Molmil](/molmil-images/mine/7lsk) | Structure of HIV-1 Reverse Transcriptase in complex with DNA, L-dTTP, and CA(2+) ion | Descriptor: | 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, ... | Authors: | Hoang, A, Ruiz, F.X, Arnold, E. | Deposit date: | 2021-02-18 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing. Drug Discov Today, 27, 2022
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7LRI
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![BU of 7lri by Molmil](/molmil-images/mine/7lri) | Structure of HIV-1 Reverse Transcriptase in complex with DNA, dTTP, and CA(2+) ion | Descriptor: | CALCIUM ION, DNA/RNA (38-MER), GLYCEROL, ... | Authors: | Hoang, A, Ruiz, F.X, Arnold, E. | Deposit date: | 2021-02-16 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing. Drug Discov Today, 27, 2022
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7LRX
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![BU of 7lrx by Molmil](/molmil-images/mine/7lrx) | Structure of HIV-1 Reverse Transcriptase in complex with DNA, L-dCTP, and CA(2+) ion | Descriptor: | 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, ... | Authors: | Hoang, A, Ruiz, F.X, Arnold, E. | Deposit date: | 2021-02-17 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing. Drug Discov Today, 27, 2022
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6OE3
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![BU of 6oe3 by Molmil](/molmil-images/mine/6oe3) | Crystal Structure of HIV-1 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 | Descriptor: | 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-7-fluoronaphthalene-2-carbonitrile, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ... | Authors: | Bertoletti, N, Kudalkar, S.N, Anderson, K.S, Cisneros Trigo, J.A, Jorgensen, W.L. | Deposit date: | 2019-03-27 | Release date: | 2019-05-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural and pharmacological evaluation of a novel non-nucleoside reverse transcriptase inhibitor as a promising long acting nanoformulation for treating HIV. Antiviral Res., 167, 2019
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3QLH
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![BU of 3qlh by Molmil](/molmil-images/mine/3qlh) | HIV-1 Reverse Transcriptase in Complex with Manicol at the RNase H Active Site and TMC278 (Rilpivirine) at the NNRTI Binding Pocket | Descriptor: | (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one, 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | Authors: | Himmel, D.M, Wojtak, K, Bauman, J.D, Arnold, E. | Deposit date: | 2011-02-02 | Release date: | 2011-12-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Synthesis, activity, and structural analysis of novel alpha-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H. J.Med.Chem., 54, 2011
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6O9E
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![BU of 6o9e by Molmil](/molmil-images/mine/6o9e) | Structure of HIV-1 Reverse Transcriptase in complex with DNA and INDOPY-1 | Descriptor: | 5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile, AMMONIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ruiz, F.X, Hoang, A, Das, K, Arnold, E. | Deposit date: | 2019-03-13 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis of HIV-1 Inhibition by Nucleotide-Competing Reverse Transcriptase Inhibitor INDOPY-1. J.Med.Chem., 62, 2019
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6OR7
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![BU of 6or7 by Molmil](/molmil-images/mine/6or7) | Structure of HIV-1 Reverse Transcriptase (RT) in complex with DNA AND (-)FTC-TP | Descriptor: | DNA Primer 20-mer, DNA template 27-mer, MAGNESIUM ION, ... | Authors: | Bertoletti, N, Chan, A.H, Anderson, K.S. | Deposit date: | 2019-04-29 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structural insights into the recognition of nucleoside reverse transcriptase inhibitors by HIV-1 reverse transcriptase: First crystal structures with reverse transcriptase and the active triphosphate forms of lamivudine and emtricitabine. Protein Sci., 28, 2019
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6OUN
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![BU of 6oun by Molmil](/molmil-images/mine/6oun) | Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and (-)3TC-TP | Descriptor: | DNA primer 20-mer, DNA template 27-mer, Lamivudine Triphosphate, ... | Authors: | Bertoletti, N, Anderson, K.S. | Deposit date: | 2019-05-04 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.656 Å) | Cite: | Structural insights into the recognition of nucleoside reverse transcriptase inhibitors by HIV-1 reverse transcriptase: First crystal structures with reverse transcriptase and the active triphosphate forms of lamivudine and emtricitabine. Protein Sci., 28, 2019
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6OTZ
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![BU of 6otz by Molmil](/molmil-images/mine/6otz) | Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and (+)FTC-TP | Descriptor: | DNA Primer 20-mer, DNA template 27-mer, GLYCEROL, ... | Authors: | Bertoletti, N, Anderson, K.S. | Deposit date: | 2019-05-03 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.857 Å) | Cite: | Structural insights into the recognition of nucleoside reverse transcriptase inhibitors by HIV-1 reverse transcriptase: First crystal structures with reverse transcriptase and the active triphosphate forms of lamivudine and emtricitabine. Protein Sci., 28, 2019
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6P2G
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![BU of 6p2g by Molmil](/molmil-images/mine/6p2g) | Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and D-ddCTP | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA Primer 20-mer, DNA template 27-mer, ... | Authors: | Bertoletti, N, Anderson, K.S. | Deposit date: | 2019-05-21 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Structural insights into the recognition of nucleoside reverse transcriptase inhibitors by HIV-1 reverse transcriptase: First crystal structures with reverse transcriptase and the active triphosphate forms of lamivudine and emtricitabine. Protein Sci., 28, 2019
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6P1I
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![BU of 6p1i by Molmil](/molmil-images/mine/6p1i) | Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and dCTP | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA Primer 20-mer, DNA template 27-mer, ... | Authors: | Bertoletti, N, Anderson, K.S. | Deposit date: | 2019-05-19 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Structural insights into the recognition of nucleoside reverse transcriptase inhibitors by HIV-1 reverse transcriptase: First crystal structures with reverse transcriptase and the active triphosphate forms of lamivudine and emtricitabine. Protein Sci., 28, 2019
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6P1X
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![BU of 6p1x by Molmil](/molmil-images/mine/6p1x) | Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and L-ddCTP | Descriptor: | DNA Primer 20-mer, DNA template 27-mer, MAGNESIUM ION, ... | Authors: | Bertoletti, N, Anderson, K.S. | Deposit date: | 2019-05-20 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.553 Å) | Cite: | Structural insights into the recognition of nucleoside reverse transcriptase inhibitors by HIV-1 reverse transcriptase: First crystal structures with reverse transcriptase and the active triphosphate forms of lamivudine and emtricitabine. Protein Sci., 28, 2019
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3T1A
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![BU of 3t1a by Molmil](/molmil-images/mine/3t1a) | |
2OPS
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![BU of 2ops by Molmil](/molmil-images/mine/2ops) | Crystal Structure of Y188C Mutant HIV-1 Reverse Transcriptase in Complex with GW420867X. | Descriptor: | ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ... | Authors: | Ren, J, Nichols, C.E, Chamberlain, P.P, Weaver, K.L, Short, S.A, Chan, J.H, Kleim, J, Stammers, D.K. | Deposit date: | 2007-01-30 | Release date: | 2007-05-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Relationship of Potency and Resilience to Drug Resistant Mutations for GW420867X Revealed by Crystal Structures of Inhibitor Complexes for Wild-Type, Leu100Ile, Lys101Glu, and Tyr188Cys Mutant HIV-1 Reverse Transcriptases. J.Med.Chem., 50, 2007
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3QIP
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![BU of 3qip by Molmil](/molmil-images/mine/3qip) | Structure of HIV-1 reverse transcriptase in complex with an RNase H inhibitor and nevirapine | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, 5,6-dihydroxy-2-[(2-phenyl-1H-indol-3-yl)methyl]pyrimidine-4-carboxylic acid, CHLORIDE ION, ... | Authors: | Lansdon, E.B, Kirschberg, T.A. | Deposit date: | 2011-01-27 | Release date: | 2011-04-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.0926 Å) | Cite: | Structural and Binding Analysis of Pyrimidinol Carboxylic Acid and N-Hydroxy Quinazolinedione HIV-1 RNase H Inhibitors. Antimicrob.Agents Chemother., 55, 2011
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6X47
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![BU of 6x47 by Molmil](/molmil-images/mine/6x47) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ649), a Non-nucleoside Inhibitor | Descriptor: | 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile, Reverse transcriptase/ribonuclease H, p51 RT | Authors: | Chan, A.H, Duong, V.N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2020-05-22 | Release date: | 2020-07-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.767 Å) | Cite: | Structural investigation of 2-naphthyl phenyl ether inhibitors bound to WT and Y181C reverse transcriptase highlights key features of the NNRTI binding site. Protein Sci., 29, 2020
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6X4E
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![BU of 6x4e by Molmil](/molmil-images/mine/6x4e) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with methyl 2-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)acetate (JLJ681), a Non-nucleoside Inhibitor | Descriptor: | Reverse transcriptase/ribonuclease H, SULFATE ION, methyl (6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)acetate, ... | Authors: | Chan, A.H, Duong, V.N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2020-05-22 | Release date: | 2020-07-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural investigation of 2-naphthyl phenyl ether inhibitors bound to WT and Y181C reverse transcriptase highlights key features of the NNRTI binding site. Protein Sci., 29, 2020
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3T19
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![BU of 3t19 by Molmil](/molmil-images/mine/3t19) | |
6X4D
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![BU of 6x4d by Molmil](/molmil-images/mine/6x4d) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 5-(cyclopropylmethyl)-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile (JLJ678), a Non-nucleoside Inhibitor | Descriptor: | 5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | Authors: | Chan, A.H, Duong, V.N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2020-05-22 | Release date: | 2020-07-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural investigation of 2-naphthyl phenyl ether inhibitors bound to WT and Y181C reverse transcriptase highlights key features of the NNRTI binding site. Protein Sci., 29, 2020
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2OPR
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![BU of 2opr by Molmil](/molmil-images/mine/2opr) | Crystal Structure of K101E Mutant HIV-1 Reverse Transcriptase in Complex with GW420867X. | Descriptor: | ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE, Reverse transcriptase/ribonuclease H, p51 RT | Authors: | Ren, J, Nichols, C.E, Chamberlain, P.P, Weaver, K.L, Short, S.A, Chan, J.H, Kleim, J, Stammers, D.K. | Deposit date: | 2007-01-30 | Release date: | 2007-05-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Relationship of Potency and Resilience to Drug Resistant Mutations for GW420867X Revealed by Crystal Structures of Inhibitor Complexes for Wild-Type, Leu100Ile, Lys101Glu, and Tyr188Cys Mutant HIV-1 Reverse Transcriptases. J.Med.Chem., 50, 2007
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3TAM
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![BU of 3tam by Molmil](/molmil-images/mine/3tam) | |
2OPQ
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![BU of 2opq by Molmil](/molmil-images/mine/2opq) | Crystal Structure of L100I Mutant HIV-1 Reverse Transcriptase in Complex with GW420867X. | Descriptor: | ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ... | Authors: | Ren, J, Nichols, C.E, Chamberlain, P.P, Weaver, K.L, Short, S.A, Chan, J.H, Kleim, J, Stammers, D.K. | Deposit date: | 2007-01-30 | Release date: | 2007-05-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Relationship of Potency and Resilience to Drug Resistant Mutations for GW420867X Revealed by Crystal Structures of Inhibitor Complexes for Wild-Type, Leu100Ile, Lys101Glu, and Tyr188Cys Mutant HIV-1 Reverse Transcriptases. J.Med.Chem., 50, 2007
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2OPP
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![BU of 2opp by Molmil](/molmil-images/mine/2opp) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with GW420867X. | Descriptor: | ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Ren, J, Nichols, C.E, Chamberlain, P.P, Weaver, K.L, Chan, S.J.H, Kleim, J, Stammers, D.K. | Deposit date: | 2007-01-30 | Release date: | 2007-05-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Relationship of Potency and Resilience to Drug Resistant Mutations for GW420867X Revealed by Crystal Structures of Inhibitor Complexes for Wild-Type, Leu100Ile, Lys101Glu, and Tyr188Cys Mutant HIV-1 Reverse Transcriptases. J.Med.Chem., 50, 2007
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5XN2
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![BU of 5xn2 by Molmil](/molmil-images/mine/5xn2) | HIV-1 reverse transcriptase Q151M:DNA:dGTP ternary complex | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 38-MER DNA aptamer, GLYCEROL, ... | Authors: | Yasutake, Y, Tamura, N, Hayashi, H, Maeda, K. | Deposit date: | 2017-05-17 | Release date: | 2018-02-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.381 Å) | Cite: | 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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2RKI
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![BU of 2rki by Molmil](/molmil-images/mine/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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