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9C9M
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BU of 9c9m by Molmil
HIV-1 intasome core bound with DTG
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, Integrase, MAGNESIUM ION, ...
Authors:Li, M, Craigie, R.
Deposit date:2024-06-14
Release date:2024-07-31
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (2.01 Å)
Cite:HIV-1 Intasomes Assembled with Excess Integrase C-Terminal Domain Protein Facilitate Structural Studies by Cryo-EM and Reveal the Role of the Integrase C-Terminal Tail in HIV-1 Integration.
Viruses, 16, 2024
8ZHA
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BU of 8zha by Molmil
HIV-1 integrase core domain in complex with compound 15
Descriptor: (2~{S})-2-[7-(cycloheptylcarbamoyl)-4',5-dimethyl-spiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, SULFATE ION, ...
Authors:Furuzono, T, Orita, T, Nomura, A, Adachi, T.
Deposit date:2024-05-10
Release date:2024-07-10
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design and synthesis of novel and potent allosteric HIV-1 integrase inhibitors with a spirocyclic moiety.
Bioorg.Med.Chem.Lett., 110, 2024
8ZH4
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BU of 8zh4 by Molmil
HIV-1 integrase core domain in complex with compound 5
Descriptor: (2~{S})-2-(4',5-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, SULFATE ION, ...
Authors:Furuzono, T, Orita, T, Nomura, A, Adachi, T.
Deposit date:2024-05-10
Release date:2024-07-10
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Design and synthesis of novel and potent allosteric HIV-1 integrase inhibitors with a spirocyclic moiety.
Bioorg.Med.Chem.Lett., 110, 2024
8Q4D
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BU of 8q4d by Molmil
IstA-IstB(E167Q) Strand Transfer Complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA (118-MER) / TIR-transferred strand, ...
Authors:de la Gandara, A, Spinola-Amilibia, M, Araujo-Bazan, L, Nunez-Ramirez, R, Berger, J.M, Arias-Palomo, E.
Deposit date:2023-08-06
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Molecular basis for transposase activation by a dedicated AAA+ ATPase.
Nature, 630, 2024
8T52
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BU of 8t52 by Molmil
HIV-1 Integrase Catalytic Core Domain (CCD) F185H/Y99H/A128T Mutant Complexed with EKC-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:2023-06-12
Release date:2024-06-19
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
8T5B
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BU of 8t5b by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor EKC-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, MAGNESIUM ION
Authors:Dinh, T, Kvaratskhelia, M.
Deposit date:2023-06-12
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Understanding the resistance of Y99H and A128T mutations in HIV-1 Integrase against the effective anti-HIV drugs of STP0404 and BKC11
To Be Published
8T5A
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BU of 8t5a by Molmil
HIV-1 Integrase Catalytic Core Domain (CCD) F185H/Y99H/A128T 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:2023-06-12
Release date:2024-06-19
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
8W2R
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BU of 8w2r by Molmil
HIV-1 P5-IN intasome core
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 (5'-D(*AP*CP*TP*GP*CP*TP*AP*GP*AP*GP*AP*TP*TP*TP*TP*CP*CP*CP*G)-3'), DNA (5'-D(P*CP*GP*GP*GP*AP*AP*AP*AP*TP*CP*TP*CP*TP*AP*GP*CP*A)-3'), ...
Authors:Li, M, Craigie, R.
Deposit date:2024-02-21
Release date:2024-04-17
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:HIV-1 Integrase Assembles Multiple Species of Stable Synaptic Complex Intasomes That Are Active for Concerted DNA Integration In vitro.
J.Mol.Biol., 436, 2024
8W34
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BU of 8w34 by Molmil
HIV-1 intasome core assembled with wild-type integrase, 1F
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 (5'-D(*AP*CP*TP*GP*CP*TP*AP*GP*AP*GP*AP*TP*TP*TP*TP*CP*CP*AP*C)-3'), DNA (5'-D(P*GP*TP*GP*GP*AP*AP*AP*AP*TP*CP*TP*CP*TP*AP*GP*CP*A)-3'), ...
Authors:Li, M, Craigie, R.
Deposit date:2024-02-21
Release date:2024-04-17
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:HIV-1 Integrase Assembles Multiple Species of Stable Synaptic Complex Intasomes That Are Active for Concerted DNA Integration In vitro.
J.Mol.Biol., 436, 2024
8W09
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BU of 8w09 by Molmil
HIV-1 wild-type intasome core
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, Integrase, MAGNESIUM ION, ...
Authors:Li, M, Craigie, R.
Deposit date:2024-02-13
Release date:2024-04-17
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:HIV-1 Integrase Assembles Multiple Species of Stable Synaptic Complex Intasomes That Are Active for Concerted DNA Integration In vitro.
J.Mol.Biol., 436, 2024
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
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
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
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
Last modified:2024-06-19
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
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
Last modified:2024-06-19
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
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
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
Last modified:2024-06-19
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
Last modified:2024-06-19
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
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
Last modified:2024-06-19
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
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
Last modified:2024-06-19
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
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
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
Last modified:2024-06-19
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
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
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
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

225158

건을2024-09-18부터공개중

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