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3QO9
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Crystal structure of HIV-1 Reverse Transcriptase (RT) in complex with TSAO-T, a non-nucleoside RT inhibitor (NNRTI)
Descriptor: 1-[(5R,6R,8R,9R)-4-amino-9-{[tert-butyl(dimethyl)silyl]oxy}-6-({[tert-butyl(dimethyl)silyl]oxy}methyl)-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4(1H,3H)-dione, Reverse transcriptase/ ribonuclease H, p51 RT
Authors:Das, K, Arnold, E.
Deposit date:2011-02-09
Release date:2011-05-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of tert-Butyldimethylsilyl-spiroaminooxathioledioxide-thymine (TSAO-T) in Complex with HIV-1 Reverse Transcriptase (RT) Redefines the Elastic Limits of the Non-nucleoside Inhibitor-Binding Pocket.
J.Med.Chem., 54, 2011
3T19
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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
3T1A
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BU of 3t1a by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (K103N mutant) 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:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design and synthesis of conformationally constrained inhibitors of non-nucleoside reverse transcriptase.
J.Med.Chem., 54, 2011
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
3V1O
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Crystal structures of the reverse transcriptase-associated ribonuclease H domain of xenotropic murine leukemia-virus related virus
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, GLYCEROL, Reverse transcriptase/ribonuclease H p80, ...
Authors:Zhou, D, Wlodawer, A.
Deposit date:2011-12-09
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.876 Å)
Cite:Crystal structures of the reverse transcriptase-associated ribonuclease H domain of xenotropic murine leukemia-virus related virus.
J.Struct.Biol., 177, 2012
3V1Q
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BU of 3v1q by Molmil
Crystal structures of the reverse transcriptase-associated ribonuclease H domain of xenotropic murine leukemia-virus related virus
Descriptor: Reverse transcriptase/ribonuclease H p80
Authors:Zhou, D, Wlodawer, A.
Deposit date:2011-12-09
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of the reverse transcriptase-associated ribonuclease H domain of xenotropic murine leukemia-virus related virus.
J.Struct.Biol., 177, 2012
3V1R
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Crystal structures of the reverse transcriptase-associated ribonuclease H domain of XMRV with inhibitor beta-thujaplicinol
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one, MANGANESE (II) ION, ...
Authors:Zhou, D, Wlodawer, A.
Deposit date:2011-12-09
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of the reverse transcriptase-associated ribonuclease H domain of xenotropic murine leukemia-virus related virus.
J.Struct.Biol., 177, 2012
3V4I
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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
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
3V81
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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
4B3O
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Structures of HIV-1 RT and RNA-DNA Complex Reveal a Unique RT Conformation and Substrate Interface
Descriptor: (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, 5'-D(*CP*GP*TP*AP*TP*GP*CP*CP*TP*AP*TP*AP*GP*TP *TP*AP*TP*TP*GP*TP*GP*GP*CP*C)-3', 5'-R(*AP*UP*GP*AP*3DRP*GP*GP*CP*CP*AP*CP*AP*AP*UP*AP *AP*CP*UP*AP*UP*AP*GP*GP*CP*AP*UP*A)-3', ...
Authors:Lapkouski, M, Tian, L, Miller, J.T, Le Grice, S.F.J, Yang, W.
Deposit date:2012-07-25
Release date:2013-01-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Complexes of HIV-1 RT, Nnrti and RNA/DNA Hybrid Reveal a Structure Compatible with RNA Degradation
Nat.Struct.Mol.Biol., 20, 2013
4B3P
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BU of 4b3p by Molmil
Structures of HIV-1 RT and RNA-DNA Complex Reveal a Unique RT Conformation and Substrate Interface
Descriptor: DNA, P51 RT, REVERSE TRANSCRIPTASE/RIBONUCLEASE H, ...
Authors:Lapkouski, M, Tian, L, Miller, J.T, Le Grice, S.F.J, Yang, W.
Deposit date:2012-07-25
Release date:2013-01-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (4.839 Å)
Cite:Complexes of HIV-1 RT, Nnrti and RNA/DNA Hybrid Reveal a Structure Compatible with RNA Degradation
Nat.Struct.Mol.Biol., 20, 2013
4B3Q
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BU of 4b3q by Molmil
Structures of HIV-1 RT and RNA-DNA Complex Reveal a Unique RT Conformation and Substrate Interface
Descriptor: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, P51 RT, PRIMER DNA, ...
Authors:Lapkouski, M, Tian, L, Miller, J.T, Le Grice, S.F.J, Yang, W.
Deposit date:2012-07-25
Release date:2013-01-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (5 Å)
Cite:Complexes of HIV-1 RT, Nnrti and RNA/DNA Hybrid Reveal a Structure Compatible with RNA Degradation
Nat.Struct.Mol.Biol., 20, 2013
4DG1
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BU of 4dg1 by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) with polymorphism mutation K172A and K173A
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ...
Authors:Tu, X, Kirby, K.A, Marchand, B, Sarafianos, S.G.
Deposit date:2012-01-24
Release date:2012-06-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:HIV-1 Reverse Transcriptase (RT) Polymorphism 172K Suppresses the Effect of Clinically Relevant Drug Resistance Mutations to Both Nucleoside and Non-nucleoside RT Inhibitors.
J.Biol.Chem., 287, 2012
4E89
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BU of 4e89 by Molmil
Crystal Structure of RnaseH from gammaretrovirus
Descriptor: CADMIUM ION, MAGNESIUM ION, RNase H
Authors:Kim, J.H, Kim, S.J.
Deposit date:2012-03-19
Release date:2012-10-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of xenotropic murine leukaemia virus-related virus (XMRV) ribonuclease H
Biosci.Rep., 32, 2012
4G1Q
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Crystal structure of HIV-1 reverse transcriptase (RT) in complex with Rilpivirine (TMC278, Edurant), a non-nucleoside rt-inhibiting drug
Descriptor: 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, MAGNESIUM ION, ...
Authors:Bauman, J.D, Patel, D, Das, K, Arnold, E.
Deposit date:2012-07-11
Release date:2013-02-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Snapshot of the equilibrium dynamics of a drug bound to HIV-1 reverse transcriptase.
Nat Chem, 5, 2013
4H4M
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BU of 4h4m by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase 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, 1,2-ETHANEDIOL, Reverse transcriptase/ribonuclease H, ...
Authors:Frey, K.M, Anderson, K.S.
Deposit date:2012-09-17
Release date:2012-12-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal Structures of HIV-1 Reverse Transcriptase with Picomolar Inhibitors Reveal Key Interactions for Drug Design.
J.Am.Chem.Soc., 134, 2012
4H4O
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Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with (E)-3-(3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)- 4-fluorophenoxy)-5-fluorophenyl)acrylonitrile (JLJ506), A Non-nucleoside inhibitor
Descriptor: (2E)-3-(3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5-fluorophenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, Exoribonuclease H, ...
Authors:Frey, K.M, Anderson, K.S.
Deposit date:2012-09-17
Release date:2012-12-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structures of HIV-1 Reverse Transcriptase with Picomolar Inhibitors Reveal Key Interactions for Drug Design.
J.Am.Chem.Soc., 134, 2012
4HKQ
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XMRV reverse transcriptase in complex with RNA/DNA hybrid
Descriptor: DNA (5'-D(*TP*GP*GP*AP*AP*TP*CP*A*GP*GP*TP*GP*TP*CP*GP*CP*AP*CP*TP*CP*TP*G)-3'), RNA (5'-R(*AP*AP*CP*AP*GP*AP*GP*UP*GP*CP*GP*AP*CP*AP*CP*CP*UP*GP*AP*UP*UP*CP*CP*AP*U)-3'), Reverse transcriptase/ribonuclease H p80
Authors:Nowak, E, Potrzebowski, W, Konarev, P.V, Rausch, J.W, Bona, M.K, Svergun, D.I, Bujnicki, J.M, Le Grice, S.F.J, Nowotny, M.
Deposit date:2012-10-15
Release date:2013-02-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structural analysis of monomeric retroviral reverse transcriptase in complex with an RNA/DNA hybrid
Nucleic Acids Res., 41, 2013
4I2P
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Crystal structure of HIV-1 reverse transcriptase in complex with rilpivirine (TMC278) based analogue
Descriptor: (2E)-3-[4-({6-[(4-methoxyphenyl)amino]-7H-purin-2-yl}amino)-3,5-dimethylphenyl]prop-2-enenitrile, Gag-Pol polyprotein
Authors:Patel, D, Bauman, J.D, Das, K, Arnold, E.
Deposit date:2012-11-22
Release date:2013-01-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2964 Å)
Cite:A comparison of the ability of rilpivirine (TMC278) and selected analogues to inhibit clinically relevant HIV-1 reverse transcriptase mutants.
Retrovirology, 9, 2012
4I2Q
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Crystal structure of K103N/Y181C mutant of HIV-1 reverse transcriptase in complex with rilpivirine (TMC278) analogue
Descriptor: (2E)-3-(4-{[6-(1,3-benzothiazol-5-ylamino)-9H-purin-2-yl]amino}-3,5-dimethylphenyl)prop-2-enenitrile, 1,2-ETHANEDIOL, Gag-Pol polyprotein
Authors:Patel, D, Bauman, J.D, Das, K, Arnold, E.
Deposit date:2012-11-22
Release date:2013-01-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7004 Å)
Cite:A comparison of the ability of rilpivirine (TMC278) and selected analogues to inhibit clinically relevant HIV-1 reverse transcriptase mutants.
Retrovirology, 9, 2012
4I7F
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BU of 4i7f by Molmil
HIV-1 Reverse Transcriptase in complex with a phosphonate analog of nevirapine
Descriptor: CHLORIDE ION, MAGNESIUM ION, Reverse transcriptase, ...
Authors:Lansdon, E.B, Parrish, J.
Deposit date:2012-11-30
Release date:2013-02-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Synthesis and biological evaluation of phosphonate analogues of nevirapine.
Bioorg.Med.Chem.Lett., 23, 2013
4IBN
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BU of 4ibn by Molmil
Crystal structure of LC9-RNase H1, a type 1 RNase H with the type 2 active-site motif
Descriptor: Ribonuclease H
Authors:Nguyen, T.-N, You, D.-J, Kanaya, E, Koga, Y, Kanaya, S.
Deposit date:2012-12-09
Release date:2013-03-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure of metagenome-derived LC9-RNase H1 with atypical DEDN active site motif
Febs Lett., 587, 2013
4ICL
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BU of 4icl by Molmil
HIV-1 reverse transcriptase with bound fragment at the incoming dNTP binding site
Descriptor: 4-(4-methylpiperazin-1-yl)benzoic acid, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ...
Authors:Bauman, J.D, Patel, D, Arnold, E.
Deposit date:2012-12-10
Release date:2013-02-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
4ID5
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BU of 4id5 by Molmil
HIV-1 reverse transcriptase with bound fragment at the RNase H primer grip site
Descriptor: 1-methyl-5-phenyl-1H-pyrazole-4-carboxylic acid, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ...
Authors:Bauman, J.D, Patel, D, Arnold, E.
Deposit date:2012-12-11
Release date:2013-02-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013

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数据于2024-06-12公开中

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