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8WF7
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BU of 8wf7 by Molmil
The Crystal Structure of integrase from Biortus
Descriptor: ACETATE ION, Integrase, SULFATE ION
Authors:Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J.
Deposit date:2023-09-19
Release date:2023-10-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The Crystal Structure of integrase from Biortus
To Be Published
8S9Q
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BU of 8s9q by Molmil
HIV-1 Integrase Catalytic Core Domain (CCD) F185H Mutant Complexed with STP03-0404
Descriptor: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
Authors:Dinh, T, Kvaratskhelia, M.
Deposit date:2023-03-29
Release date:2024-02-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:HIV-1 Integrase Catalytic Core Domain Complexed with STP-0404
To Be Published
8FNQ
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BU of 8fnq by Molmil
Structure of E138K/G140A/Q148K HIV-1 intasome with 4d bound
Descriptor: 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6-(6-hydroxyhexyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-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
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants.
Sci Adv, 9, 2023
8FNP
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BU of 8fnp by Molmil
Structure of E138K/G140S/Q148H 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
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants.
Sci Adv, 9, 2023
8FNO
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BU of 8fno by Molmil
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
8FNN
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BU of 8fnn by Molmil
Structure of E138K/G140A/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 (2.7 Å)
Cite:Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants.
Sci Adv, 9, 2023
8FNM
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BU of 8fnm by Molmil
Structure of G140A/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 (2.8 Å)
Cite:Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants.
Sci Adv, 9, 2023
8FNL
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BU of 8fnl by Molmil
Structure of E138K/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 (2.8 Å)
Cite:Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants.
Sci Adv, 9, 2023
8FNJ
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BU of 8fnj by Molmil
Structure of E138K/G140A 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 (2.4 Å)
Cite: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
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
8FNG
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BU of 8fng by Molmil
Structure of E138K 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 (2.2 Å)
Cite:Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants.
Sci Adv, 9, 2023
8FND
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BU of 8fnd by Molmil
Structure of E138K 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 (3 Å)
Cite:Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants.
Sci Adv, 9, 2023
8FN7
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BU of 8fn7 by Molmil
Structure of WT HIV-1 intasome bound to Dolutegravir
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 (2.8 Å)
Cite:Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants.
Sci Adv, 9, 2023
8E14
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BU of 8e14 by Molmil
Cryo-EM structure of Rous sarcoma virus strand transfer complex
Descriptor: DNA (42-MER), DNA (5'-D(*AP*AP*TP*GP*TP*TP*GP*TP*CP*TP*TP*AP*TP*GP*CP*AP*AP*TP*AP*CP*TP*C)-3'), DNA (5'-D(*AP*GP*TP*GP*TP*CP*TP*TP*CP*TP*TP*CP*TP*TP*TP*C)-3'), ...
Authors:Pandey, K.K, Bera, S, Shi, K, Aihara, H, Grandgenett, D.P.
Deposit date:2022-08-09
Release date:2023-04-26
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Molecular determinants for Rous sarcoma virus intasome assemblies involved in retroviral integration.
J.Biol.Chem., 299, 2023
8D3S
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BU of 8d3s by Molmil
HIV-1 Integrase Catalytic Core Domain F185H Mutant Complexed with BKC-110
Descriptor: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,6-dimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
Authors:Dinh, T, Kvaratskhelia, M.
Deposit date:2022-06-01
Release date:2023-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:HIV-1 Integrase Catalytic Core Domain Complexed with BKC-110
To Be Published
8CTA
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BU of 8cta by Molmil
Minimal 2:2 Ternary Complex between BI-224436 bound HIV-1 Integrase Catalytic Core Domain Dimer and Carboxy Terminal Domains
Descriptor: (2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid, 1,2-ETHANEDIOL, Integrase
Authors:Gupta, K, Van Duyne, G.D, Eilers, G, Bushman, F.D.
Deposit date:2022-05-13
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Structure of a HIV-1 IN-Allosteric inhibitor complex at 2.93 angstrom resolution: Routes to inhibitor optimization.
Plos Pathog., 19, 2023
8CT7
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BU of 8ct7 by Molmil
Catalytic Core Domain of HIV-1 Integrase (F185K) bound with BI-224436
Descriptor: (2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid, 1,2-ETHANEDIOL, Integrase, ...
Authors:Gupta, K, Van Duyne, G.D, Eilers, G, Bushman, F.D.
Deposit date:2022-05-13
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structure of a HIV-1 IN-Allosteric inhibitor complex at 2.93 angstrom resolution: Routes to inhibitor optimization.
Plos Pathog., 19, 2023
8CT5
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BU of 8ct5 by Molmil
Catalytic Core Domain of HIV-1 Integrase (F185K)
Descriptor: Integrase, SULFATE ION
Authors:Gupta, K, Van Duyne, G.D, Eilers, G.
Deposit date:2022-05-13
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure of a HIV-1 IN-Allosteric inhibitor complex at 2.93 angstrom resolution: Routes to inhibitor optimization.
Plos Pathog., 19, 2023
8CBV
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BU of 8cbv by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT916
Descriptor: (2~{S})-2-[3-cyclopropyl-2-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-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:2023-07-26
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
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
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:2023-07-26
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
8CBT
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BU of 8cbt by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT872
Descriptor: (2~{S})-2-[3-cyclopropyl-2-(3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-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:2023-07-26
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
8CBS
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BU of 8cbs by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT871
Descriptor: (2~{S})-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]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:2023-07-26
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
8CBR
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BU of 8cbr by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor BDM-2
Descriptor: (2S)-2-[3-cyclopropyl-2-(3,4-dihydro-2H-chromen-6-yl)-6-methyl-phenyl]-2-[(2-methylpropan-2-yl)oxy]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:2023-07-26
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
8BV2
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BU of 8bv2 by Molmil
Biological and structural analysis of new potent Integrase-LEDGF allosteric HIV-1 inhibitors
Descriptor: (2S)-2-[3-cyclopropyl-2-(3,4-dihydro-2H-chromen-6-yl)-6-methyl-phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, MAGNESIUM ION, ...
Authors:Ruff, M, Benarous, R.
Deposit date:2022-12-01
Release date:2023-06-07
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
8BUV
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BU of 8buv by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor LEDGIN 3
Descriptor: (6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid, 1,2-ETHANEDIOL, Integrase, ...
Authors:Singer, M.R, Pye, V.E, Cook, N.J, Cherepanov, P.
Deposit date:2022-11-30
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor LEDGIN 3
To Be Published

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PDB entries from 2024-03-27

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