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4RW6
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Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) variant in complex with (E)-3-(3-chloro-5-(4-chloro-2-(2-(2,4-dioxo-3,4- dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ494), a Non-nucleoside Inhibitor
Descriptor: (2E)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ...
Authors:Frey, K.M, Anderson, K.S.
Deposit date:2014-12-01
Release date:2015-04-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.631 Å)
Cite:Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants.
J.Med.Chem., 58, 2015
3TAM
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BU of 3tam by Molmil
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
5HRO
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BU of 5hro by Molmil
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
4RW7
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BU of 4rw7 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (K103N, Y181C) variant in complex with (E)-3-(3-chloro-5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ532), a non-nucleoside inhibitor
Descriptor: (2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ...
Authors:Frey, K.M, Anderson, K.S.
Deposit date:2014-12-01
Release date:2015-04-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.014 Å)
Cite:Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants.
J.Med.Chem., 58, 2015
5J2N
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BU of 5j2n by Molmil
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
3V81
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BU of 3v81 by Molmil
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
4O4G
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BU of 4o4g by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in complex with 4-((4-(mesitylamino)-1,3,5-triazin-2-yl)amino)benzonitrile (JLJ527), a non-nucleoside inhibitor
Descriptor: 4-({4-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile, HIV-1 reverse transcriptase, p51 subunit, ...
Authors:Mislak, A.C, Frey, K.M.
Deposit date:2013-12-18
Release date:2014-11-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.712 Å)
Cite:A mechanistic and structural investigation of modified derivatives of the diaryltriazine class of NNRTIs targeting HIV-1 reverse transcriptase.
Biochim.Biophys.Acta, 1840, 2014
3V6D
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BU of 3v6d by Molmil
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
4PQU
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BU of 4pqu by Molmil
Crystal structure of HIV-1 Reverse Transcriptase in complex with RNA/DNA and dATP
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*G)-3', ...
Authors:Das, K, Bandwar, R.P, Arnold, E.
Deposit date:2014-03-04
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.508 Å)
Cite:Structures of HIV-1 RT-RNA/DNA ternary complexes with dATP and nevirapine reveal conformational flexibility of RNA/DNA: insights into requirements for RNase H cleavage.
Nucleic Acids Res., 42, 2014
5J2Q
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BU of 5j2q by Molmil
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
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BU of 5j1e by Molmil
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
2JLE
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BU of 2jle by Molmil
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
3V4I
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BU of 3v4i by Molmil
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
4PUO
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BU of 4puo by Molmil
Crystal structure of HIV-1 reverse transcriptase in complex with RNA/DNA and Nevirapine
Descriptor: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*G)-3', 5'-R(P*AP*UP*GP*GP*UP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*UP*GP*UP*G)-3', ...
Authors:Das, K, Martinez, S.E, Arnold, E.
Deposit date:2014-03-13
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Structures of HIV-1 RT-RNA/DNA ternary complexes with dATP and nevirapine reveal conformational flexibility of RNA/DNA: insights into requirements for RNase H cleavage.
Nucleic Acids Res., 42, 2014
5C25
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BU of 5c25 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 6-((4-((4-cyanophenyl)amino)-1,3,5-triazin-2-yl)amino)-5,7-dimethyl-2-naphthonitrile (JLJ639), a Non-nucleoside Inhibitor
Descriptor: 6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7- dimethyl-2-naphthonitrile, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ...
Authors:Chan, A.H, Frey, K.M, Anderson, K.S.
Deposit date:2015-06-15
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.841 Å)
Cite:Discovery and crystallography of bicyclic arylaminoazines as potent inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 25, 2015
5C24
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BU of 5c24 by Molmil
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
5CYM
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BU of 5cym by Molmil
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
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BU of 5dmq by Molmil
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
5DMR
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BU of 5dmr by Molmil
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
5CYQ
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BU of 5cyq by Molmil
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
5D3G
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BU of 5d3g by Molmil
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
5C42
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BU of 5c42 by Molmil
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
5FDL
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BU of 5fdl by Molmil
Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with IDX899
Descriptor: P51 Reverse transcriptase, P66 Reverse transcriptase, methyl (R)-(2-carbamoyl-5-chloro-1H-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate
Authors:Dousson, C.B, Alexandre, F.-R, Convard, T, Fisher, M, Lamers, M.B.A.C, Leonard, P.M.
Deposit date:2015-12-16
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery of the Aryl-phospho-indole IDX899, a Highly Potent Anti-HIV Non-nucleoside Reverse Transcriptase Inhibitor.
J.Med.Chem., 59, 2016
5XN0
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BU of 5xn0 by Molmil
HIV-1 reverse transcriptase Q151M:DNA binary complex
Descriptor: 38-MER DNA aptamer, GLYCEROL, Pol protein, ...
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 (2.596 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
5XN1
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HIV-1 reverse transcriptase Q151M:DNA:entecavir-triphosphate ternary complex
Descriptor: 38-MER DNA aptamer, GLYCEROL, MAGNESIUM ION, ...
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 (2.446 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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