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7SO6	Crystal Structure of HIV-1 K103N, Y181C mutant 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, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... Authors: Bertoletti, N, Frey, K.M, Anderson, K.S, Cisneros Trigo, J.A, Jorgensen, W.L, Chan, A.H. Deposit date: 2021-10-29 Release date: 2022-03-16 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.79 Å) Cite: Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase. Front Mol Biosci, 9, 2022
7SO1	Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-4-((4-((4-(2-cyanovinyl)-2,6-dimethylphenyl)amino)-6-(3-morpholinopropoxy)-1,3,5-triazin-2-yl)amino)benzonitrile (JLJ564) Descriptor: 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile, Reverse transcriptase p66, p51 RT Authors: Frey, K.M, Anderson, K.S. Deposit date: 2021-10-28 Release date: 2022-03-16 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.727 Å) Cite: Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase. Front Mol Biosci, 9, 2022
7SNZ	Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 6-((2-((4-cyanophenyl)amino)pyrimidin-4-yl)amino)-5,7-dimethylindolizine-2-carbonitrile (JLJ604) Descriptor: (4R)-6-{[2-(4-cyanoanilino)pyrimidin-4-yl]amino}-5,7-dimethylindolizine-2-carbonitrile, 1,4-DIAMINOBUTANE, MAGNESIUM ION, ... Authors: Frey, K.M, Anderson, K.S. Deposit date: 2021-10-28 Release date: 2022-03-16 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.368 Å) Cite: Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase. Front Mol Biosci, 9, 2022
7SLR	HIV Reverse Transcriptase with compound Pyr01 Descriptor: 5-(difluoromethyl)-3-({1-[(5-fluoro-2-oxo-1,2-dihydropyridin-3-yl)methyl]-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl}oxy)-2-methylbenzonitrile, Reverse transcriptase/ribonuclease H Authors: Klein, D.J, Zebisch, M, Gu, M. Deposit date: 2021-10-24 Release date: 2022-11-23 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.179 Å) Cite: Potent targeted activator of cell kill molecules eliminate cells expressing HIV-1. Sci Transl Med, 15, 2023
7SLS	HIV Reverse Transcriptase with compound Pyr02 Descriptor: 5-(difluoromethyl)-3-{[1-{[(3S)-5-fluoro-2-methyl-6-oxo-3,6-dihydropyridin-3-yl]methyl}-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl]oxy}-2-methylbenzonitrile, Reverse transcriptase/ribonuclease H Authors: Klein, D.J, Zebisch, M, Gu, M. Deposit date: 2021-10-24 Release date: 2022-11-23 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.078 Å) Cite: Potent targeted activator of cell kill molecules eliminate cells expressing HIV-1. Sci Transl Med, 15, 2023
7SJX	Cryo-EM Structure of the PR-RT components of the HIV-1 Pol Polyprotein Descriptor: Gag-Pol polyprotein Authors: Lyumkis, D, Passos, D, Arnold, E, Harrison, J.J.E.K, Ruiz, F.X. Deposit date: 2021-10-19 Release date: 2022-07-27 Last modified: 2023-08-16 Method: ELECTRON MICROSCOPY (8.2 Å) Cite: Cryo-EM structure of the HIV-1 Pol polyprotein provides insights into virion maturation. Sci Adv, 8, 2022
7SR6	Human Endogenous Retrovirus (HERV-K) reverse transcriptase ternary complex with dsDNA template Primer and dNTP Descriptor: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ... Authors: Baldwin, E.T, Nichols, C. Deposit date: 2021-11-08 Release date: 2022-07-20 Method: X-RAY DIFFRACTION (2.62 Å) Cite: Human endogenous retrovirus-K (HERV-K) reverse transcriptase (RT) structure and biochemistry reveals remarkable similarities to HIV-1 RT and opportunities for HERV-K-specific inhibition. Proc.Natl.Acad.Sci.USA, 119, 2022
7TAZ	Crystal structure of HIV-1 reverse transcriptase (RT) in complex with VM-1500A, a non-nucleoside RT inhibitor Descriptor: 2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide, Reverse transcriptase p51, Reverse transcriptase/ribonuclease H Authors: Snyder, A.A, Risener, C.J, Kirby, K.A, Sarafianos, S.G. Deposit date: 2021-12-21 Release date: 2023-04-12 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Crystal structure of HIV-1 reverse transcriptase (RT) in complex with VM-1500A, a non-nucleoside RT inhibitor To Be Published
3T1A	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
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
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
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
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
7O24	Structure of the foamy viral protease-reverse transcriptase in complex with dsDNA. Descriptor: DNA (5'-D(*AP*AP*CP*AP*GP*AP*GP*TP*GP*CP*GP*AP*CP*AP*CP*CP*TP*GP*AP*TP*TP*CP*CP*A)-3'), DNA (5'-D(*TP*GP*GP*AP*AP*TP*CP*AP*GP*GP*TP*GP*TP*CP*GP*CP*AP*CP*TP*CP*TP*G)-3'), Pr125Pol Authors: Nowotny, M, Czarnocki-Cieciura, M. Deposit date: 2021-03-30 Release date: 2021-06-30 Last modified: 2022-01-19 Method: ELECTRON MICROSCOPY (4.8 Å) Cite: Structures of Substrate Complexes of Foamy Viral Protease-Reverse Transcriptase. J.Virol., 95, 2021
7O0G	Structure of the foamy viral protease-reverse transcriptase in complex with RNA/DNA hybrid. Descriptor: DNA (5'-D(*CP*CP*TP*CP*TP*CP*CP*TP*GP*GP*AP*CP*AP*AP*G)-3'), Pr125Pol, RNA (5'-R(*UP*UP*CP*UP*UP*GP*UP*CP*CP*AP*GP*GP*AP*GP*AP*GP*G)-3') Authors: Nowak, E, Nowacka, M, Nowotny, M. Deposit date: 2021-03-26 Release date: 2021-06-30 Last modified: 2022-01-19 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Structures of Substrate Complexes of Foamy Viral Protease-Reverse Transcriptase. J.Virol., 95, 2021
7OTK	HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-233 Descriptor: (2~{R})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-phosphono-propanoic acid, 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(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: Martinez, S.E, Singh, A.K, Gu, W, Das, K. Deposit date: 2021-06-10 Release date: 2021-12-08 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.95 Å) Cite: Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design. Eur.J.Med.Chem., 225, 2021
7OZW	Cryo-EM structure of HIV-1 reverse transcriptase with a DNA aptamer in complex with fragment 166 at the transient P-pocket Descriptor: (1~{R},2~{R})-2-phenyl-~{N}-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide, DNA (37-MER), Reverse transcriptase/ribonuclease H Authors: Singh, A.K, Das, K. Deposit date: 2021-06-28 Release date: 2021-12-08 Last modified: 2021-12-22 Method: ELECTRON MICROSCOPY (3.38 Å) Cite: Sliding of HIV-1 reverse transcriptase over DNA creates a transient P pocket - targeting P-pocket by fragment screening. Nat Commun, 12, 2021
7OTX	HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-257 Descriptor: (S)-2-((3-(6-amino-9H-purin-9-yl)propyl)amino)-3-phosphonopropanoic acid, 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: Martinez, S.E, Singh, A.K, Gu, W, Das, K. Deposit date: 2021-06-10 Release date: 2021-12-08 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (3.45 Å) Cite: Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design. Eur.J.Med.Chem., 225, 2021
7OT6	HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND inhibitor RMC-282 Descriptor: (R)-N-(1-(6-amino-9H-purin-9-yl)propan-2-yl)-N-(2-phosphonoethyl)glycine, 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'), DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)*CP*GP*CP*CP*(DDG))-3'), ... Authors: Martinez, S.E, Singh, A.K, Gu, W, Das, K. Deposit date: 2021-06-09 Release date: 2021-12-08 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (3.2 Å) Cite: Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design. Eur.J.Med.Chem., 225, 2021
7OTA	HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-230 Descriptor: ((2-(6-amino-9H-purin-9-yl)ethyl)-L-seryl)phosphoramidic acid, 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(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: Martinez, S.E, Singh, A.K, Gu, W, Das, K. Deposit date: 2021-06-09 Release date: 2021-12-08 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (3 Å) Cite: Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design. Eur.J.Med.Chem., 225, 2021
7OTN	HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-247 Descriptor: (S)-2-((2-(6-amino-9H-purin-9-yl)ethyl)amino)-3-phosphonopropanoic acid, 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: Martinez, S.E, Singh, A.K, Gu, W, Das, K. Deposit date: 2021-06-10 Release date: 2021-12-08 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (3.4 Å) Cite: Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design. Eur.J.Med.Chem., 225, 2021
7OZ2	Crystal structure of HIV-1 reverse transcriptase with a double stranded DNA showing a transient P-pocket Descriptor: CADMIUM ION, DNA (28-MER), DNA (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: Martinez, S.E, Singh, A.K, Das, K. Deposit date: 2021-06-25 Release date: 2021-12-08 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.85 Å) Cite: Sliding of HIV-1 reverse transcriptase over DNA creates a transient P pocket - targeting P-pocket by fragment screening. Nat Commun, 12, 2021
7OXQ	Crystal structure of HIV-1 reverse transcriptase with a double stranded DNA in complex with fragment 048 at the transient P-pocket. Descriptor: 2-(4-bromanylpyrazol-1-yl)-~{N}-cyclopropyl-~{N}-methyl-ethanamide, CADMIUM ION, DNA (28-MER), ... Authors: Martinez, S.E, Singh, A.K, Das, K. Deposit date: 2021-06-22 Release date: 2021-12-08 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (3.3 Å) Cite: Sliding of HIV-1 reverse transcriptase over DNA creates a transient P pocket - targeting P-pocket by fragment screening. Nat Commun, 12, 2021
7OZ5	Crystal structure of HIV-1 reverse transcriptase with a double stranded DNA in complex with fragment 166 at the transient P-pocket. Descriptor: (1~{R},2~{R})-2-phenyl-~{N}-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide, CADMIUM ION, DNA (28-MER), ... Authors: Martinez, S.E, Singh, A.K, Das, K. Deposit date: 2021-06-25 Release date: 2021-12-08 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (3.37 Å) Cite: Sliding of HIV-1 reverse transcriptase over DNA creates a transient P pocket - targeting P-pocket by fragment screening. Nat Commun, 12, 2021
7P15	Cryo-EM structure of HIV-1 reverse transcriptase with a DNA aptamer in complex with fragment F04 at the transient P-pocket Descriptor: (1~{R},2~{R})-~{N}-(1~{H}-pyrazol-4-yl)-2-pyridin-3-yl-cyclopropane-1-carboxamide, DNA (37-MER), Reverse transcriptase/ribonuclease H Authors: Singh, A.K, Das, K. Deposit date: 2021-07-01 Release date: 2021-12-08 Last modified: 2021-12-22 Method: ELECTRON MICROSCOPY (3.58 Å) Cite: Sliding of HIV-1 reverse transcriptase over DNA creates a transient P pocket - targeting P-pocket by fragment screening. Nat Commun, 12, 2021

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