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PDB: 387 件
6VQS
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BU of 6vqs by Molmil
HIV Integrase Core domain (IN) in complex with [5-(3-fluorophenyl)-1-benzofuran-3-yl]acetic acid
分子名称: IODIDE ION, Integrase, SULFATE ION, ...
著者Gorman, M.A, Parker, M.W.
登録日2020-02-05
公開日2021-02-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献HIV Integrase Core domain (IN) in complex with [5-(3-fluorophenyl)-1-benzofuran-3-yl]acetic acid
To Be Published
5XN2
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BU of 5xn2 by Molmil
HIV-1 reverse transcriptase Q151M:DNA:dGTP ternary complex
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 38-MER DNA aptamer, GLYCEROL, ...
著者Yasutake, Y, Tamura, N, Hayashi, H, Maeda, K.
登録日2017-05-17
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.381 Å)
主引用文献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
1K6Y
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BU of 1k6y by Molmil
Crystal Structure of a Two-Domain Fragment of HIV-1 Integrase
分子名称: Integrase, PHOSPHATE ION, POTASSIUM ION, ...
著者Wang, J, Ling, H, Yang, W, Craigie, R.
登録日2001-10-17
公開日2001-12-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of a two-domain fragment of HIV-1 integrase: implications for domain organization in the intact protein.
EMBO J., 20, 2001
8FNJ
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BU of 8fnj by Molmil
Structure of E138K/G140A HIV-1 intasome with Dolutegravir bound
分子名称: (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), ...
著者Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D.
登録日2022-12-27
公開日2023-08-09
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants.
Sci Adv, 9, 2023
3DS5
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BU of 3ds5 by Molmil
HIV-1 capsid C-terminal domain mutant (N183A)
分子名称: HIV-1 CAPSID PROTEIN
著者Igonet, S, Vaney, M.C, Rey, F.A.
登録日2008-07-11
公開日2008-09-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Residues in the HIV-1 Capsid Assembly Inhibitor Binding Site Are Essential for Maintaining the Assembly-competent Quaternary Structure of the Capsid Protein.
J.Biol.Chem., 283, 2008
6VX2
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BU of 6vx2 by Molmil
HIV Integrase core domain in complex with inhibitor (5-methyl-1-benzofuran-3-yl)acetic acid
分子名称: (5-methyl-1-benzofuran-3-yl)acetic acid, IODIDE ION, Integrase, ...
著者Gorman, M.A, Parker, M.W.
登録日2020-02-21
公開日2021-02-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献HIV Integrase core domain in complex with inhibitor (5-methyl-1-benzofuran-3-yl)acetic acid
To Be Published
6VRG
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BU of 6vrg by Molmil
Structure of HIV-1 integrase with native amino-terminal sequence
分子名称: Integrase, PHOSPHATE ION, POTASSIUM ION, ...
著者Eilers, G, Gupta, K, Allen, A, Zhou, J, Hwang, Y, Cory, M, Bushman, F.D, Van Duyne, G.D.
登録日2020-02-07
公開日2020-09-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Influence of the amino-terminal sequence on the structure and function of HIV integrase.
Retrovirology, 17, 2020
2ONT
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BU of 2ont by Molmil
A swapped dimer of the HIV-1 capsid C-terminal domain
分子名称: Capsid protein p24
著者Ivanov, D, Tsodikov, O.V, Kasanov, J, Ellenberger, T, Wagner, G, Collins, T.
登録日2007-01-24
公開日2007-02-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Domain-swapped dimerization of the HIV-1 capsid C-terminal domain
Proc.Natl.Acad.Sci.Usa, 104, 2007
7D83
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BU of 7d83 by Molmil
Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-(2-(3-cyclohexylureido)-3,6-dimethyl-5-(5-methylchroman-6-yl)pyridin-4-yl)acetic acid
分子名称: (2S)-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2H-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, SULFATE ION
著者Sugiyama, S, Sekiguchi, Y.
登録日2020-10-07
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Discovery of novel HIV-1 integrase-LEDGF/p75 allosteric inhibitors based on a pyridine scaffold forming an intramolecular hydrogen bond.
Bioorg.Med.Chem.Lett., 33, 2020
7DBM
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BU of 7dbm by Molmil
HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/M184V:DNA:dGTP ternary complex
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ...
著者Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K.
登録日2020-10-21
公開日2021-08-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Biochemical and Structural Properties of Entecavir-Resistant Hepatitis B Virus Polymerase with L180M/M204V Mutations.
J.Virol., 95, 2021
6IK9
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BU of 6ik9 by Molmil
HIV-1 reverse transcriptase with Q151M/G112S/D113A/Y115F/F116Y/F160L/I159L:DNA:dGTP ternary complex
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ...
著者Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K.
登録日2018-10-15
公開日2019-01-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.435 Å)
主引用文献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
8CBU
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BU of 8cbu by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT884
分子名称: (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, ...
著者Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P.
登録日2023-01-25
公開日2023-06-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
5XN1
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BU of 5xn1 by Molmil
HIV-1 reverse transcriptase Q151M:DNA:entecavir-triphosphate ternary complex
分子名称: 38-MER DNA aptamer, GLYCEROL, MAGNESIUM ION, ...
著者Yasutake, Y, Tamura, N, Hayashi, H, Maeda, K.
登録日2017-05-17
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.446 Å)
主引用文献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
4DMN
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BU of 4dmn by Molmil
HIV-1 Integrase Catalytical Core Domain
分子名称: (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid, ARSENIC, HIV-1 Integrase, ...
著者Feng, L, Kvaratskhelia, M.
登録日2012-02-08
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Multimode, cooperative mechanism of action of allosteric HIV-1 integrase inhibitors.
J.Biol.Chem., 287, 2012
8F22
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BU of 8f22 by Molmil
HIV-CA Disulfide linked Hexamer bound to 11l capsid inhibitor.
分子名称: Capsid protein p24, Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide
著者Barnett, M.J, Goldstone, D.C.
登録日2022-11-06
公開日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of a benzosulfonamide based inhibitor - bound to a disulfide stabilised HIV-1 capsid hexamer
Biorxiv, 2023
6LMI
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BU of 6lmi by Molmil
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
分子名称: (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, ...
著者Sugiyama, S, Iwaki, T, Tamura, Y, Tomita, K, Matsuoka, E, Arita, S, Seki, T, Yoshinaga, T, Kawasuji, T.
登録日2019-12-25
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of novel integrase-LEDGF/p75 allosteric inhibitors based on a benzene scaffold.
Bioorg.Med.Chem., 28, 2020
1BI4
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BU of 1bi4 by Molmil
CATALYTIC DOMAIN OF HIV-1 INTEGRASE
分子名称: INTEGRASE
著者Maignan, S, Guilloteau, J.P, Zhou-Liu, Q, Clement-Mella, C, Mikol, V.
登録日1998-06-22
公開日1998-11-04
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
8FNO
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BU of 8fno by Molmil
Structure of E138K/G140A/Q148R HIV-1 intasome with Dolutegravir bound
分子名称: (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), ...
著者Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D.
登録日2022-12-28
公開日2023-08-09
最終更新日2023-09-20
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants.
Sci Adv, 9, 2023
8FNH
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BU of 8fnh by Molmil
Structure of Q148K HIV-1 intasome with Dolutegravir bound
分子名称: (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), ...
著者Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D.
登録日2022-12-27
公開日2023-08-09
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants.
Sci Adv, 9, 2023
6JCG
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BU of 6jcg by Molmil
Room temperature structure of HIV-1 Integrase catalytic core domain by serial femtosecond crystallography.
分子名称: CACODYLATE ION, Integrase
著者Park, J.H, Shi, Y, Han, J, Li, X, Kim, T.H, Yun, J.H.
登録日2019-01-28
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Non-Cryogenic Structure and Dynamics of HIV-1 Integrase Catalytic Core Domain by X-ray Free-Electron Lasers.
Int J Mol Sci, 20, 2019
1BIU
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BU of 1biu by Molmil
HIV-1 INTEGRASE CORE DOMAIN COMPLEXED WITH MG++
分子名称: HIV-1 INTEGRASE, MAGNESIUM ION
著者Goldgur, Y, Dyda, F, Hickman, A.B, Jenkins, T.M, Craigie, R, Davies, D.R.
登録日1998-06-19
公開日1998-08-19
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Three new structures of the core domain of HIV-1 integrase: an active site that binds magnesium.
Proc.Natl.Acad.Sci.USA, 95, 1998
3P05
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BU of 3p05 by Molmil
X-ray structure of pentameric HIV-1 CA
分子名称: HIV-1 CA, IODIDE ION
著者Pornillos, O.
登録日2010-09-27
公開日2011-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Atomic-level modelling of the HIV capsid.
Nature, 469, 2011
6KDJ
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BU of 6kdj by Molmil
HIV-1 reverse transcriptase with Q151M/Y115F/F116Y:DNA:lamivudine 5'-triphosphate ternary complex
分子名称: DNA/RNA (38-MER), GLYCEROL, HIV-1 RT p51 subunit, ...
著者Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K.
登録日2019-07-02
公開日2020-03-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structural features in common of HBV and HIV-1 resistance against chirally-distinct nucleoside analogues entecavir and lamivudine.
Sci Rep, 10, 2020
7T9H
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BU of 7t9h by Molmil
HIV Integrase in complex with Compound-15
分子名称: (2S)-tert-butoxy[2-methyl-4-(4-methylphenyl)quinolin-3-yl]acetic acid, Integrase, MAGNESIUM ION
著者Khan, J.A, Lewis, H, Kish, K.
登録日2021-12-19
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献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
6KDK
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BU of 6kdk by Molmil
HIV-1 reverse transcriptase with Q151M/Y115F/F116Y:DNA:dCTP ternary complex
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ...
著者Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K.
登録日2019-07-02
公開日2020-03-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献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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