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5C24	Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 7-((4-((4-cyanophenyl)amino)-1,3,5-triazin-2-yl)amino)-6,8-dimethylindolizine-2-carbonitrile (JLJ605), a non-nucleoside inhibitor Descriptor: 6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7-dimethylindolizine-2-carbonitrile, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ... Authors: Frey, K.M, Anderson, K.S. Deposit date: 2015-06-15 Release date: 2015-07-29 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Discovery and crystallography of bicyclic arylaminoazines as potent inhibitors of HIV-1 reverse transcriptase. Bioorg.Med.Chem.Lett., 25, 2015
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
5HP1	STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE In COMPLEX WITH A DNA aptamer and FOSCARNET, a Pyrophosphate analog Descriptor: 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, DNA (38-MER), GLYCEROL, ... Authors: Das, K, Arnold, E. Deposit date: 2016-01-19 Release date: 2016-06-01 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Conformational States of HIV-1 Reverse Transcriptase for Nucleotide Incorporation vs Pyrophosphorolysis-Binding of Foscarnet. Acs Chem.Biol., 11, 2016
3V81	Crystal structure of HIV-1 reverse transcriptase (RT) with DNA and the nonnucleoside inhibitor nevirapine Descriptor: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3'), DNA (5'-D(*AP*TP*GP*GP*AP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), ... Authors: Das, K, Martinez, S.E, Arnold, E. Deposit date: 2011-12-22 Release date: 2012-01-18 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.8503 Å) Cite: HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism. Nat.Struct.Mol.Biol., 19, 2012
5I3U	STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE N-SITE COMPLEX; CATALYTIC INCORPORATION OF AZTMP to A DNA aptamer in CRYSTAL Descriptor: DNA (39-MER), GLYCEROL, HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT, ... Authors: Das, K, Arnold, E. Deposit date: 2016-02-11 Release date: 2016-06-01 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (3 Å) Cite: Conformational States of HIV-1 Reverse Transcriptase for Nucleotide Incorporation vs Pyrophosphorolysis-Binding of Foscarnet. Acs Chem.Biol., 11, 2016
5I42	Structure of HIV-1 Reverse Transcriptase in complex with a DNA aptamer, AZTTP, and CA(2+) ion Descriptor: 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (38-MER), ... Authors: Das, K, Arnold, E. Deposit date: 2016-02-11 Release date: 2016-06-01 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (3.3 Å) Cite: Conformational States of HIV-1 Reverse Transcriptase for Nucleotide Incorporation vs Pyrophosphorolysis-Binding of Foscarnet. Acs Chem.Biol., 11, 2016
3T19	Crystal structure of HIV-1 reverse transcriptase (wild type) in complex with inhibitor M05 Descriptor: 1-(2,5-dichloro-3-{[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-benzotriazol-4-yl]oxy}phenyl)methanamine, Reverse Transcriptase Authors: Yan, Y, Reid, J. Deposit date: 2011-07-21 Release date: 2011-10-26 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Design and synthesis of conformationally constrained inhibitors of non-nucleoside reverse transcriptase. J.Med.Chem., 54, 2011
5HBM	Crystal Structure of a Dihydroxycoumarin RNase H Active-Site Inhibitor in Complex with HIV-1 Reverse Transcriptase Descriptor: (7,8-dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid, 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, MANGANESE (II) ION, ... Authors: Kirby, K.A, Sarafianos, S.G. Deposit date: 2015-12-31 Release date: 2016-02-24 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (3.043 Å) Cite: Crystal Structure of a Dihydroxycoumarin RNase H Active-Site Inhibitor in Complex with HIV-1 Reverse Transcriptase To Be Published
5HRO	STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE In COMPLEX WITH A DNA aptamer and an Alpha-carboxy nucleoside phosphonate inhibitor (alpha-CNP) Descriptor: DNA (38-MER), HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT, HIV-1 REVERSE TRANSCRIPTASE P66 SUBUNIT, ... Authors: Das, K, Arnold, E. Deposit date: 2016-01-23 Release date: 2016-06-01 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.75 Å) Cite: Conformational States of HIV-1 Reverse Transcriptase for Nucleotide Incorporation vs Pyrophosphorolysis-Binding of Foscarnet. Acs Chem.Biol., 11, 2016
3TAM	Crystal structure of HIV-1 reverse transcriptase (K103N mutant) in complex with inhibitor M06 Descriptor: 3-chloro-5-{[4-methyl-2-oxo-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-dihydropyridin-3-yl]oxy}benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT Authors: Yan, Y. Deposit date: 2011-08-04 Release date: 2011-10-26 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.51 Å) Cite: Design and synthesis of pyridone inhibitors of non-nucleoside reverse transcriptase. Bioorg.Med.Chem.Lett., 21, 2011
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
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
5DMQ	Crystal structure of mouse eRF1 in complex with Reverse Transcriptase (RT) of Moloney Murine Leukemia Virus Descriptor: Eukaryotic peptide chain release factor subunit 1, Reverse transcriptase/ribonuclease H p80 Authors: Tang, T, Song, H. Deposit date: 2015-09-09 Release date: 2016-07-06 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (4 Å) Cite: Structural basis of suppression of host translation termination by Moloney Murine Leukemia Virus Nat Commun, 7, 2016
3V6D	Crystal structure of HIV-1 reverse transcriptase (RT) cross-linked with AZT-terminated DNA Descriptor: DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3'), DNA (5'-D(*AP*TP*GP*GP*AP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), HIV-1 REVERSE TRANSCRIPTASE P51 subunit, ... Authors: Das, K, Martinez, S.E, Arnold, E. Deposit date: 2011-12-19 Release date: 2012-01-18 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.7048 Å) Cite: HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism. Nat.Struct.Mol.Biol., 19, 2012
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
3V4I	Crystal structure of HIV-1 reverse transcriptase (RT) with DNA and AZTTP Descriptor: 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3'), DNA (5'-D(*AP*TP*GP*GP*AP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), ... Authors: Das, K, Martinez, S.E, Arnold, E. Deposit date: 2011-12-15 Release date: 2012-01-18 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.7983 Å) Cite: HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism. Nat.Struct.Mol.Biol., 19, 2012
5HLF	STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE In COMPLEX WITH A 38-MER HAIRPIN TEMPLATE-PRIMER DNA APTAMER AND AN ALPHA-CARBOXYPHOSPHONATE INHIBITOR Descriptor: DNA (38-MER), GLYCEROL, HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT, ... Authors: Das, K, Arnold, E. Deposit date: 2016-01-15 Release date: 2016-02-10 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.95 Å) Cite: Exploring the role of the alpha-carboxyphosphonate moiety in the HIV-RT activity of alpha-carboxy nucleoside phosphonates. Org.Biomol.Chem., 14, 2016
5J2N	HIV-1 reverse transcriptase in complex with DNA that has incorporated EFdA-MP at the P-(post-translocation) site and dTMP at the N-(pre-translocation) site Descriptor: 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', MAGNESIUM ION, ... 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 (2.896 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
5DMR	Crystal Structure of C-terminal domain of mouse eRF1 in complex with RNase H domain of RT of Moloney Murine Leukemia Virus Descriptor: Eukaryotic peptide chain release factor subunit 1, Reverse transcriptase/ribonuclease H p80 Authors: Tang, X, Song, H. Deposit date: 2015-09-09 Release date: 2016-07-06 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Structural basis of suppression of host translation termination by Moloney Murine Leukemia Virus Nat Commun, 7, 2016
5J2Q	HIV-1 reverse transcriptase in complex with DNA that has incorporated a mismatched 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 (2.789 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
5J1E	Crystal Structure of a Hydroxypyridone Carboxylic Acid Active-Site RNase H Inhibitor in Complex with HIV Reverse Transcriptase Descriptor: 5-hydroxy-4-oxo-1-[(4'-sulfamoyl[1,1'-biphenyl]-4-yl)methyl]-1,4-dihydropyridine-3-carboxylic acid, HIV-1 REVERSE TRANSCRIPTASE P51 DOMAIN, HIV-1 REVERSE TRANSCRIPTASE P66 DOMAIN, ... Authors: Kirby, K.A, Sarafianos, S.G. Deposit date: 2016-03-29 Release date: 2016-06-15 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Design, Synthesis, and Biological Evaluations of Hydroxypyridonecarboxylic Acids as Inhibitors of HIV Reverse Transcriptase Associated RNase H. J.Med.Chem., 59, 2016
7LRM	Structure of HIV-1 Reverse Transcriptase in complex with DNA, dCTP, and CA(2+) ion Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA/RNA (38-MER), ... 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 (3.14 Å) Cite: Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing. Drug Discov Today, 27, 2022
7LRY	Structure of HIV-1 Reverse Transcriptase in complex with DNA, (-)FTC-TP, and CA(2+) ion Descriptor: AMMONIUM ION, CALCIUM ION, DNA/RNA (38-MER), ... 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 (2.45 Å) Cite: Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing. Drug Discov Today, 27, 2022
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
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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