8CBU
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![BU of 8cbu by Molmil](/molmil-images/mine/8cbu) | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT884 | Descriptor: | (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxy-ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P. | Deposit date: | 2023-01-25 | Release date: | 2023-06-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase. Antimicrob.Agents Chemother., 67, 2023
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5XN1
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![BU of 5xn1 by Molmil](/molmil-images/mine/5xn1) | 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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4DMN
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![BU of 4dmn by Molmil](/molmil-images/mine/4dmn) | HIV-1 Integrase Catalytical Core Domain | Descriptor: | (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid, ARSENIC, HIV-1 Integrase, ... | Authors: | Feng, L, Kvaratskhelia, M. | Deposit date: | 2012-02-08 | Release date: | 2012-03-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Multimode, cooperative mechanism of action of allosteric HIV-1 integrase inhibitors. J.Biol.Chem., 287, 2012
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8F22
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![BU of 8f22 by Molmil](/molmil-images/mine/8f22) | |
3P05
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![BU of 3p05 by Molmil](/molmil-images/mine/3p05) | X-ray structure of pentameric HIV-1 CA | Descriptor: | HIV-1 CA, IODIDE ION | Authors: | Pornillos, O. | Deposit date: | 2010-09-27 | Release date: | 2011-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Atomic-level modelling of the HIV capsid. Nature, 469, 2011
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8FNO
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![BU of 8fno by Molmil](/molmil-images/mine/8fno) | Structure of E138K/G140A/Q148R HIV-1 intasome with Dolutegravir bound | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... | Authors: | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | Deposit date: | 2022-12-28 | Release date: | 2023-08-09 | Last modified: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants. Sci Adv, 9, 2023
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8FNH
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![BU of 8fnh by Molmil](/molmil-images/mine/8fnh) | Structure of Q148K HIV-1 intasome with Dolutegravir bound | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... | Authors: | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | Deposit date: | 2022-12-27 | Release date: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants. Sci Adv, 9, 2023
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1BI4
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![BU of 1bi4 by Molmil](/molmil-images/mine/1bi4) | CATALYTIC DOMAIN OF HIV-1 INTEGRASE | Descriptor: | INTEGRASE | Authors: | Maignan, S, Guilloteau, J.P, Zhou-Liu, Q, Clement-Mella, C, Mikol, V. | Deposit date: | 1998-06-22 | Release date: | 1998-11-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of the catalytic domain of HIV-1 integrase free and complexed with its metal cofactor: high level of similarity of the active site with other viral integrases. J.Mol.Biol., 282, 1998
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6LMI
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![BU of 6lmi by Molmil](/molmil-images/mine/6lmi) | Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-6-methanesulfonamido-2,3',4',5-tetramethyl-[1,1'-biphenyl]-4-yl]acetic acid | Descriptor: | (2S)-2-[2-(3,4-dihydro-2H-chromen-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, 1,2-ETHANEDIOL, Integrase catalytic, ... | Authors: | Sugiyama, S, Iwaki, T, Tamura, Y, Tomita, K, Matsuoka, E, Arita, S, Seki, T, Yoshinaga, T, Kawasuji, T. | Deposit date: | 2019-12-25 | Release date: | 2020-09-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of novel integrase-LEDGF/p75 allosteric inhibitors based on a benzene scaffold. Bioorg.Med.Chem., 28, 2020
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6JCG
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![BU of 6jcg by Molmil](/molmil-images/mine/6jcg) | Room temperature structure of HIV-1 Integrase catalytic core domain by serial femtosecond crystallography. | Descriptor: | CACODYLATE ION, Integrase | Authors: | Park, J.H, Shi, Y, Han, J, Li, X, Kim, T.H, Yun, J.H. | Deposit date: | 2019-01-28 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Non-Cryogenic Structure and Dynamics of HIV-1 Integrase Catalytic Core Domain by X-ray Free-Electron Lasers. Int J Mol Sci, 20, 2019
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5B0J
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![BU of 5b0j by Molmil](/molmil-images/mine/5b0j) | Structure of MoeN5-Sso7d fusion protein in complex with beta-undecyl maltoside | Descriptor: | MoeN5,DNA-binding protein 7d, UNDECYL-MALTOSIDE | Authors: | Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T, Oldfield, E.O. | Deposit date: | 2015-10-30 | Release date: | 2016-03-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5. Angew.Chem.Int.Ed.Engl., 55, 2016
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1BIU
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![BU of 1biu by Molmil](/molmil-images/mine/1biu) | HIV-1 INTEGRASE CORE DOMAIN COMPLEXED WITH MG++ | Descriptor: | HIV-1 INTEGRASE, MAGNESIUM ION | Authors: | Goldgur, Y, Dyda, F, Hickman, A.B, Jenkins, T.M, Craigie, R, Davies, D.R. | Deposit date: | 1998-06-19 | Release date: | 1998-08-19 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Three new structures of the core domain of HIV-1 integrase: an active site that binds magnesium. Proc.Natl.Acad.Sci.USA, 95, 1998
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6KDJ
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![BU of 6kdj by Molmil](/molmil-images/mine/6kdj) | HIV-1 reverse transcriptase with Q151M/Y115F/F116Y:DNA:lamivudine 5'-triphosphate ternary complex | Descriptor: | DNA/RNA (38-MER), GLYCEROL, HIV-1 RT p51 subunit, ... | Authors: | Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K. | Deposit date: | 2019-07-02 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structural features in common of HBV and HIV-1 resistance against chirally-distinct nucleoside analogues entecavir and lamivudine. Sci Rep, 10, 2020
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7T9H
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![BU of 7t9h by Molmil](/molmil-images/mine/7t9h) | HIV Integrase in complex with Compound-15 | Descriptor: | (2S)-tert-butoxy[2-methyl-4-(4-methylphenyl)quinolin-3-yl]acetic acid, Integrase, MAGNESIUM ION | Authors: | Khan, J.A, Lewis, H, Kish, K. | Deposit date: | 2021-12-19 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Design, Synthesis, and Preclinical Profiling of GSK3739936 (BMS-986180), an Allosteric Inhibitor of HIV-1 Integrase with Broad-Spectrum Activity toward 124/125 Polymorphs. J.Med.Chem., 65, 2022
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6KDK
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![BU of 6kdk by Molmil](/molmil-images/mine/6kdk) | HIV-1 reverse transcriptase with Q151M/Y115F/F116Y: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: | 2019-07-02 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Structural features in common of HBV and HIV-1 resistance against chirally-distinct nucleoside analogues entecavir and lamivudine. Sci Rep, 10, 2020
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6KDO
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![BU of 6kdo by Molmil](/molmil-images/mine/6kdo) | HIV-1 reverse transcriptase with Q151M/Y115F/F116Y/M184V/F160M:DNA:lamivudine 5'-triphosphate ternary complex | Descriptor: | DNA/RNA (38-MER), GLYCEROL, HIV-1 RT p51 subunit, ... | Authors: | Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K. | Deposit date: | 2019-07-02 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.573 Å) | Cite: | Structural features in common of HBV and HIV-1 resistance against chirally-distinct nucleoside analogues entecavir and lamivudine. Sci Rep, 10, 2020
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5XN0
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![BU of 5xn0 by Molmil](/molmil-images/mine/5xn0) | 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
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6IKA
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![BU of 6ika by Molmil](/molmil-images/mine/6ika) | HIV-1 reverse transcriptase with Q151M/G112S/D113A/Y115F/F116Y/F160L/I159L:DNA:entecavir-triphosphate ternary complex | Descriptor: | DNA/RNA (38-MER), GLYCEROL, HIV-1 RT p51 subunit, ... | Authors: | Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K. | Deposit date: | 2018-10-15 | Release date: | 2019-01-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.598 Å) | Cite: | Active-site deformation in the structure of HIV-1 RT with HBV-associated septuple amino acid substitutions rationalizes the differential susceptibility of HIV-1 and HBV against 4'-modified nucleoside RT inhibitors. Biochem. Biophys. Res. Commun., 509, 2019
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5B03
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![BU of 5b03 by Molmil](/molmil-images/mine/5b03) | Structure of MoeN5-Sso7d fusion protein in complex with geranyl pyrophosphate | Descriptor: | GERANYL DIPHOSPHATE, MoeN5,DNA-binding protein 7d | Authors: | Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T, Oldfield, E.O. | Deposit date: | 2015-10-27 | Release date: | 2016-03-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5. Angew.Chem.Int.Ed.Engl., 55, 2016
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1BAJ
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![BU of 1baj by Molmil](/molmil-images/mine/1baj) | HIV-1 CAPSID PROTEIN C-TERMINAL FRAGMENT PLUS GAG P2 DOMAIN | Descriptor: | GAG POLYPROTEIN | Authors: | Worthylake, D.K, Wang, H, Yoo, S, Sundquist, W.I, Hill, C.P. | Deposit date: | 1998-04-17 | Release date: | 1998-10-14 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of the HIV-1 capsid protein dimerization domain at 2.6 A resolution. Acta Crystallogr.,Sect.D, 55, 1999
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1A43
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![BU of 1a43 by Molmil](/molmil-images/mine/1a43) | STRUCTURE OF THE HIV-1 CAPSID PROTEIN DIMERIZATION DOMAIN AT 2.6A RESOLUTION | Descriptor: | HIV-1 CAPSID | Authors: | Worthylake, D.K, Wang, H, Yoo, S, Sundquist, W.I, Hill, C.P. | Deposit date: | 1998-02-10 | Release date: | 1999-02-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of the HIV-1 capsid protein dimerization domain at 2.6 A resolution. Acta Crystallogr.,Sect.D, 55, 1999
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2ITG
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![BU of 2itg by Molmil](/molmil-images/mine/2itg) | CATALYTIC DOMAIN OF HIV-1 INTEGRASE: ORDERED ACTIVE SITE IN THE F185H CONSTRUCT | Descriptor: | HUMAN IMMUNODEFICIENCY VIRUS-1 INTEGRASE | Authors: | Bujacz, G, Alexandratos, J, Wlodawer, A, Zhou-Liu, Q, Clement-Mella, C. | Deposit date: | 1996-09-13 | Release date: | 1997-03-12 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The catalytic domain of human immunodeficiency virus integrase: ordered active site in the F185H mutant. FEBS Lett., 398, 1996
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4WYM
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![BU of 4wym by Molmil](/molmil-images/mine/4wym) | Structural basis of HIV-1 capsid recognition by CPSF6 | Descriptor: | Capsid protein p24, ISOFORM 2 OF CLEAVAGE AND POLYADENYLATION SPECIFICITY FACTOR SUBUNIT 6 | Authors: | Battacharya, A, Taylor, A.B, Hart, P.J, Ivanov, D.N. | Deposit date: | 2014-11-17 | Release date: | 2014-12-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of HIV-1 capsid recognition by PF74 and CPSF6. Proc.Natl.Acad.Sci.USA, 111, 2014
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4ZHR
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![BU of 4zhr by Molmil](/molmil-images/mine/4zhr) | Structure of HIV-1 RT Q151M mutant | Descriptor: | RT p51 subunit, RT p66 subunit | Authors: | Nakamura, A, Tamura, N, Yasutake, Y. | Deposit date: | 2015-04-27 | Release date: | 2015-11-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Structure of the HIV-1 reverse transcriptase Q151M mutant: insights into the inhibitor resistance of HIV-1 reverse transcriptase and the structure of the nucleotide-binding pocket of Hepatitis B virus polymerase. Acta Crystallogr.,Sect.F, 71, 2015
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8X1Z
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![BU of 8x1z by Molmil](/molmil-images/mine/8x1z) | HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y:DNA:E-CFCP-TP ternary complex | Descriptor: | DNA/RNA (38-MER), E-CFCP-triphosphate, GLYCEROL, ... | Authors: | Yasutake, Y, Hattori, S.I, Mitsuya, H. | Deposit date: | 2023-11-09 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Deviated binding of anti-HBV nucleoside analog E-CFCP-TP to the reverse transcriptase active site attenuates the effect of drug-resistant mutations. Sci Rep, 14, 2024
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