8FNH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
8FNG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fng by Molmil](/molmil-images/mine/8fng) | 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
|
|
8FNP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fnp by Molmil](/molmil-images/mine/8fnp) | 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
|
|
8FNM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fnm by Molmil](/molmil-images/mine/8fnm) | 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
|
|
8FNQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fnq by Molmil](/molmil-images/mine/8fnq) | 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
|
|
6ELI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6eli by Molmil](/molmil-images/mine/6eli) | Structure of HIV-1 reverse transcriptase (RT) in complex with rilpivirine and an RNase H inhibitor XZ462 | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Gag-Pol polyprotein, ... | Authors: | Das, K, Arnold, E. | Deposit date: | 2017-09-29 | Release date: | 2018-04-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Developing and Evaluating Inhibitors against the RNase H Active Site of HIV-1 Reverse Transcriptase. J. Virol., 92, 2018
|
|
5FRN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5frn by Molmil](/molmil-images/mine/5frn) | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ419 (compound 4c) | Descriptor: | 4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-(5-oxidanylpentyl)-1,8-naphthyridine-3-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP *TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP *AP*CP*A)-3', ... | Authors: | Maskell, D.P, Pye, V.E, Cherepanov, P. | Deposit date: | 2015-12-18 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases. Acs Chem.Biol., 11, 2016
|
|
5FRO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fro by Molmil](/molmil-images/mine/5fro) | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ446 (compound 4f) | Descriptor: | 4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-[2-(phenylsulfonyl)ethyl]-1,8-naphthyridine-3-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP *TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP *AP*CP*A)-3', ... | Authors: | Maskell, D.P, Pye, V.E, Cherepanov, P. | Deposit date: | 2015-12-18 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases. Acs Chem.Biol., 11, 2016
|
|
5FRM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5frm by Molmil](/molmil-images/mine/5frm) | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ384 (compound 4a) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-azanylidene-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP *TP*CP*GP*CP*A)-3', ... | Authors: | Maskell, D.P, Pye, V.E, Cherepanov, P. | Deposit date: | 2015-12-18 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases. Acs Chem.Biol., 11, 2016
|
|
3S3O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3s3o by Molmil](/molmil-images/mine/3s3o) | Crystal structure of the Prototype Foamy Virus (PFV) N224H mutant intasome in complex with magnesium and Dolutegravir (S/GSK1349572) | 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, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', ... | Authors: | Hare, S, Cherepanov, P. | Deposit date: | 2011-05-18 | Release date: | 2011-07-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural and Functional Analyses of the Second-Generation Integrase Strand Transfer Inhibitor Dolutegravir (S/GSK1349572). Mol.Pharmacol., 80, 2011
|
|
3S3M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3s3m by Molmil](/molmil-images/mine/3s3m) | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and Dolutegravir (S/GSK1349572) | 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, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', ... | Authors: | Hare, S, Cherepanov, P. | Deposit date: | 2011-05-18 | Release date: | 2011-07-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structural and Functional Analyses of the Second-Generation Integrase Strand Transfer Inhibitor Dolutegravir (S/GSK1349572). Mol.Pharmacol., 80, 2011
|
|
3S3N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3s3n by Molmil](/molmil-images/mine/3s3n) | Crystal structure of the Prototype Foamy Virus (PFV) S217H mutant intasome in complex with magnesium and Dolutegravir (S/GSK1349572) | 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, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', ... | Authors: | Hare, S, Cherepanov, P. | Deposit date: | 2011-05-18 | Release date: | 2011-07-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structural and Functional Analyses of the Second-Generation Integrase Strand Transfer Inhibitor Dolutegravir (S/GSK1349572). Mol.Pharmacol., 80, 2011
|
|
4BDY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bdy by Molmil](/molmil-images/mine/4bdy) | PFV intasome with inhibitor XZ-89 | Descriptor: | 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND), 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), 2-(3-chloro-4-fluorobenzyl)-4,5-dihydroxy-1H-isoindole-1,3(2H)-dione, ... | Authors: | Hare, S, Cherepanov, P. | Deposit date: | 2012-10-08 | Release date: | 2012-10-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Activities, Crystal Structures and Molecular Dynamics of Dihydro-1H-Isoindole Derivatives, Inhibitors of HIV-1 Integrase. Acs Chem.Biol., 8, 2013
|
|
4BE1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4be1 by Molmil](/molmil-images/mine/4be1) | PFV intasome with inhibitor XZ-116 | Descriptor: | 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND), 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), 2-(3-chloro-2-fluorobenzyl)-6,7-dihydroxy-2,3-dihydro-1H-isoindol-1-one, ... | Authors: | Hare, S, Cherepanov, P. | Deposit date: | 2012-10-08 | Release date: | 2012-10-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Activities, Crystal Structures and Molecular Dynamics of Dihydro-1H-Isoindole Derivatives, Inhibitors of HIV-1 Integrase. Acs Chem.Biol., 8, 2013
|
|
4BE2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4be2 by Molmil](/molmil-images/mine/4be2) | PFV intasome with inhibitor XZ-259 | Descriptor: | 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND) *AP*CP*A)-3', 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), 2-(3-chloro-4-fluorobenzyl)-6,7-dihydroxy-N,N-dimethyl-1-oxo-2,3-dihydro-1H-isoindole-4-sulfonamide, ... | Authors: | Hare, S, Cherepanov, P. | Deposit date: | 2012-10-08 | Release date: | 2012-10-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Activities, Crystal Structures and Molecular Dynamics of Dihydro-1H-Isoindole Derivatives, Inhibitors of HIV-1 Integrase. Acs Chem.Biol., 8, 2013
|
|
4BDZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bdz by Molmil](/molmil-images/mine/4bdz) | PFV intasome with inhibitor XZ-90 | Descriptor: | 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND), 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), 2-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-6,7-bis(oxidanyl)isoindol-1-one, ... | Authors: | Hare, S, Cherepanov, P. | Deposit date: | 2012-10-08 | Release date: | 2012-10-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Activities, Crystal Structures and Molecular Dynamics of Dihydro-1H-Isoindole Derivatives, Inhibitors of HIV-1 Integrase. Acs Chem.Biol., 8, 2013
|
|
4BE0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4be0 by Molmil](/molmil-images/mine/4be0) | PFV intasome with inhibitor XZ-115 | Descriptor: | 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND), 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), 2-(3-chloro-2-fluorobenzyl)-4,5-dihydroxy-1H-isoindole-1,3(2H)-dione, ... | Authors: | Hare, S, Cherepanov, P. | Deposit date: | 2012-10-08 | Release date: | 2012-10-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Activities, Crystal Structures and Molecular Dynamics of Dihydro-1H-Isoindole Derivatives, Inhibitors of HIV-1 Integrase. Acs Chem.Biol., 8, 2013
|
|
5XQZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xqz by Molmil](/molmil-images/mine/5xqz) | Structure of the MOB1-NDR2 complex | Descriptor: | GLYCEROL, MOB kinase activator 1A, Serine/threonine-protein kinase 38-like, ... | Authors: | Wu, G, Lin, K. | Deposit date: | 2017-06-07 | Release date: | 2018-08-29 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Stable MOB1 interaction with Hippo/MST is not essential for development and tissue growth control. Nat Commun, 8, 2017
|
|
3TU8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tu8 by Molmil](/molmil-images/mine/3tu8) | Crystal Structure of the Burkholderia Lethal Factor 1 (BLF1) | Descriptor: | BROMIDE ION, Burkholderia Lethal Factor 1 (BLF1) | Authors: | Cruz, A, Hautbergue, G.M, Artymiuk, P.J, Baker, P.J, Chang, C.T, Mahadi, N.M, Mobbs, G.W, Mohamed, R, Nathan, S, Partridge, L.J, Raih, M.F, Ruzheinikov, S.N, Sedelnikova, S.E, Wilson, S.A, Rice, D.W. | Deposit date: | 2011-09-16 | Release date: | 2011-11-30 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | A Burkholderia pseudomallei toxin inhibits helicase activity of translation factor eIF4A. Science, 334, 2011
|
|
3TUA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tua by Molmil](/molmil-images/mine/3tua) | Crystal Structure of the Burkholderia Lethal Factor 1 (BLF1) C94S mutant | Descriptor: | Burkholderia Lethal Factor 1 (BLF1) | Authors: | Cruz, A, Hautbergue, G.M, Artymiuk, P.J, Baker, P.J, Chang, C.T, Mahadi, N.M, Mobbs, G.W, Mohamed, R, Nathan, S, Partridge, L.J, Raih, M.F, Ruzheinikov, S.N, Sedelnikova, S.E, Wilson, S.A, Rice, D.W. | Deposit date: | 2011-09-16 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | A Burkholderia pseudomallei toxin inhibits helicase activity of translation factor eIF4A. Science, 334, 2011
|
|