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7LPW
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Crystal Structure of HIV-1 RT in Complex with NBD-14189
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Reverse transcriptase p51, ...
Authors:Losada, N, Ruiz, F.X, Arnold, E.
Deposit date:2021-02-12
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:HIV-1 gp120 Antagonists Also Inhibit HIV-1 Reverse Transcriptase by Bridging the NNRTI and NRTI Sites.
J.Med.Chem., 64, 2021
7KWU
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BU of 7kwu by Molmil
Crystal Structure of HIV-1 RT in Complex with 16c (K07-15)
Descriptor: 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide, MAGNESIUM ION, ...
Authors:Ruiz, F.X, Arnold, E.
Deposit date:2020-12-02
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:2,4,5-Trisubstituted Pyrimidines as Potent HIV-1 NNRTIs: Rational Design, Synthesis, Activity Evaluation, and Crystallographic Studies.
J.Med.Chem., 64, 2021
7KSF
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BU of 7ksf by Molmil
Crystal structure of Prototype Foamy Virus Protease-Reverse Transcriptase (native)
Descriptor: CALCIUM ION, Protease/Reverse transcriptase/ribonuclease H
Authors:Harrison, J.J.E.K, Das, K, Ruiz, F.X, Arnold, E.
Deposit date:2020-11-21
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of a Retroviral Polyprotein: Prototype Foamy Virus Protease-Reverse Transcriptase (PR-RT).
Viruses, 13, 2021
7KSE
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BU of 7kse by Molmil
Crystal structure of Prototype Foamy Virus Protease-Reverse Transcriptase CSH mutant (selenomethionine-labeled)
Descriptor: CALCIUM ION, Peptidase A9/Reverse transcriptase/RNase H
Authors:Harrison, J.J.E.K, Das, K, Ruiz, F.X, Arnold, E.
Deposit date:2020-11-21
Release date:2021-08-11
Last modified:2021-09-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of a Retroviral Polyprotein: Prototype Foamy Virus Protease-Reverse Transcriptase (PR-RT).
Viruses, 13, 2021
7KRF
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BU of 7krf by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-4-(3-(2-cyanovinyl)-5-fluorophenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ710)
Descriptor: 4-{3-[(E)-2-cyanoethenyl]-5-fluorophenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ...
Authors:Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S.
Deposit date:2020-11-19
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
7KRE
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BU of 7kre by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 4-((6-cyanonaphthalen-1-yl)oxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ704)
Descriptor: 4-[(6-cyanonaphthalen-1-yl)oxy]-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ...
Authors:Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S.
Deposit date:2020-11-19
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.728 Å)
Cite:Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
7KRD
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BU of 7krd by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 4-(3-chloro-5-cyanophenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ702)
Descriptor: 4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ...
Authors:Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S.
Deposit date:2020-11-19
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
7KRC
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BU of 7krc by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-4-(3-chloro-5-(2-cyanovinyl)phenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ709)
Descriptor: 4-{3-chloro-5-[(E)-2-cyanoethenyl]phenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ...
Authors:Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S.
Deposit date:2020-11-19
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
7KJX
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BU of 7kjx by Molmil
Structure of HIV-1 reverse transcriptase initiation complex core with nevirapine
Descriptor: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 viral RNA fragment, MAGNESIUM ION, ...
Authors:Ha, B, Larsen, K.P, Zhang, J, Fu, Z, Montabana, E, Jackson, L.N, Chen, D.H, Puglisi, E.V.
Deposit date:2020-10-26
Release date:2021-03-17
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:High-resolution view of HIV-1 reverse transcriptase initiation complexes and inhibition by NNRTI drugs.
Nat Commun, 12, 2021
7KJW
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BU of 7kjw by Molmil
Structure of HIV-1 reverse transcriptase initiation complex core with efavirenz
Descriptor: (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, HIV-1 viral RNA fragment, MAGNESIUM ION, ...
Authors:Ha, B, Larsen, K.P, Zhang, J, Fu, Z, Montabana, E, Jackson, L.N, Chen, D.H, Puglisi, E.V.
Deposit date:2020-10-26
Release date:2021-03-17
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:High-resolution view of HIV-1 reverse transcriptase initiation complexes and inhibition by NNRTI drugs.
Nat Commun, 12, 2021
7KJV
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BU of 7kjv by Molmil
Structure of HIV-1 reverse transcriptase initiation complex core
Descriptor: HIV-1 viral RNA fragment, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ...
Authors:Ha, B, Larsen, K.P, Zhang, J, Fu, Z, Montabana, E, Jackson, L.N, Chen, D.H, Puglisi, E.V.
Deposit date:2020-10-26
Release date:2021-03-17
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:High-resolution view of HIV-1 reverse transcriptase initiation complexes and inhibition by NNRTI drugs.
Nat Commun, 12, 2021
7DBN
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BU of 7dbn by Molmil
HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/M184V/F160M:DNA:dCTP ternary complex
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ...
Authors:Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K.
Deposit date:2020-10-21
Release date:2021-08-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Biochemical and Structural Properties of Entecavir-Resistant Hepatitis B Virus Polymerase with L180M/M204V Mutations.
J.Virol., 95, 2021
7DBM
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BU of 7dbm by Molmil
HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/M184V:DNA:dGTP ternary complex
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ...
Authors:Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K.
Deposit date:2020-10-21
Release date:2021-08-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Biochemical and Structural Properties of Entecavir-Resistant Hepatitis B Virus Polymerase with L180M/M204V Mutations.
J.Virol., 95, 2021
7AIJ
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BU of 7aij by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND L-METHIONINE TENOFOVIR
Descriptor: DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), Gag-Pol polyprotein, ...
Authors:Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K.
Deposit date:2020-09-27
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
7AII
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BU of 7aii by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND L-METHIONINE TENOFOVIR WITH BOUND MANGANESE
Descriptor: DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), Gag-Pol polyprotein, ...
Authors:Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K.
Deposit date:2020-09-27
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
7AIG
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BU of 7aig by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND L-GLUTAMATE TENOFOVIR
Descriptor: DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), Gag-Pol polyprotein, ...
Authors:Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K.
Deposit date:2020-09-27
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
7AIF
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BU of 7aif by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND L-GLUTAMATE TENOFOVIR WITH BOUND MANGANESE
Descriptor: DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), Gag-Pol polyprotein, ...
Authors:Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K.
Deposit date:2020-09-27
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
7AID
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BU of 7aid by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND D-ASPARTATE TENOFOVIR
Descriptor: D-Aspartate Tenofovir, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ...
Authors:Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K.
Deposit date:2020-09-26
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
7AHX
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BU of 7ahx by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND D-ASPARTATE TENOFOVIR WITH BOUND MANGANESE
Descriptor: D-Aspartate Tenofovir, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(*TP*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ...
Authors:Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K.
Deposit date:2020-09-25
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
6X4F
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BU of 6x4f by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) Variant 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 (2.72 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
6X4E
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BU of 6x4e by Molmil
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
6X4D
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BU of 6x4d by Molmil
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
6X4C
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BU of 6x4c by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-5,8-dimethyl-2-naphthonitrile (JLJ658), a Non-nucleoside Inhibitor
Descriptor: 7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5,8-dimethylnaphthalene-2-carbonitrile, 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 (2.861 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
6X4B
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BU of 6x4b by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-5-fluoro-8-methyl-2-naphthonitrile (JLJ655), a Non-nucleoside Inhibitor
Descriptor: 7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-5-fluoro-8-methylnaphthalene-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ...
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 (2.5 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
6X4A
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BU of 6x4a by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) Variant in Complex with 5-chloro-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile (JLJ651), a Non-nucleoside Inhibitor
Descriptor: 5-chloro-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile, 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 (2.537 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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PDB entries from 2024-04-24

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