PDB: 367 件ウェブページステータス検索Chemie searchBIRD

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6WE7	HIV Integrase core domain in complex with inhibitor 3-methyl-2-{5-methyl-2-[2-(thiophen-2-yl)ethynyl]-1- benzofuran-3-yl}butanoic acid 分子名称: (2S)-3-methyl-2-{5-methyl-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}butanoic acid, IODIDE ION, Integrase, ... 著者 Gorman, M.A, Parker, M.W. 登録日 2020-04-01 公開日 2021-04-07 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 HIV Integrase core domain in complex with inhibitor To Be Published
7ADU	Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ440 (compound 5j) 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ... 著者 Pye, V.E, Cherepanov, P. 登録日 2020-09-16 公開日 2021-03-24 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.62 Å) 主引用文献 HIV-1 Integrase Inhibitors with Modifications That Affect Their Potencies against Drug Resistant Integrase Mutants. Acs Infect Dis., 7, 2021
7ADV	Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ447 (compound 6v) 分子名称: 4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ... 著者 Pye, V.E, Cherepanov, P. 登録日 2020-09-16 公開日 2021-03-24 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 HIV-1 Integrase Inhibitors with Modifications That Affect Their Potencies against Drug Resistant Integrase Mutants. Acs Infect Dis., 7, 2021
7D83	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
7JN3	Cryo-EM structure of Rous sarcoma virus cleaved synaptic complex (CSC) with HIV-1 integrase strand transfer inhibitor MK-2048 分子名称: (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide, DNA (5'-D(*AP*AP*TP*GP*TP*TP*GP*TP*CP*TP*TP*AP*TP*GP*CP*AP*AP*T)-3'), DNA (5'-D(*AP*TP*TP*GP*CP*AP*TP*AP*AP*GP*AP*CP*AP*AP*CP*A)-3'), ... 著者 Pandey, K.K, Bera, S, Shi, K, Aihara, H, Grandgenett, D.P. 登録日 2020-08-03 公開日 2021-03-17 最終更新日 2024-05-15 実験手法 ELECTRON MICROSCOPY (3.21 Å) 主引用文献 Cryo-EM structure of the Rous sarcoma virus octameric cleaved synaptic complex intasome. Commun Biol, 4, 2021
7KE0	HIV-1 Integrase catalytic core domain complexed with allosteric inhibitor STP03-0404 分子名称: (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 著者 Lindenberger, J.J, Kvaratskhelia, M. 登録日 2020-10-09 公開日 2021-09-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 A highly potent and safe pyrrolopyridine-based allosteric HIV-1 integrase inhibitor targeting host LEDGF/p75-integrase interaction site. Plos Pathog., 17, 2021
7KU7	Cryo-EM structure of Rous sarcoma virus cleaved synaptic complex (CSC) with HIV-1 integrase strand transfer inhibitor MK-2048. Cluster identified by 3-dimensional variability analysis in cryoSPARC. 分子名称: (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide, DNA (5'-D(*AP*AP*TP*GP*TP*TP*GP*TP*CP*TP*TP*AP*TP*GP*CP*AP*AP*T)-3'), DNA (5'-D(*AP*TP*TP*GP*CP*AP*TP*AP*AP*GP*AP*CP*AP*AP*CP*A)-3'), ... 著者 Pandey, K.K, Bera, S, Shi, K, Aihara, H, Grandgenett, D.P. 登録日 2020-11-24 公開日 2021-03-17 最終更新日 2024-03-06 実験手法 ELECTRON MICROSCOPY (3.4 Å) 主引用文献 Cryo-EM structure of the Rous sarcoma virus octameric cleaved synaptic complex intasome. Commun Biol, 4, 2021
7KUI	Cryo-EM structure of Rous sarcoma virus cleaved synaptic complex (CSC) with HIV-1 integrase strand transfer inhibitor MK-2048. CIC region of a cluster identified by 3-dimensional variability analysis in cryoSPARC. 分子名称: (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide, DNA (5'-D(*AP*AP*TP*GP*TP*TP*GP*TP*CP*TP*TP*AP*TP*GP*CP*AP*AP*T)-3'), DNA (5'-D(*AP*TP*TP*GP*CP*AP*TP*AP*AP*GP*AP*CP*AP*AP*CP*A)-3'), ... 著者 Pandey, K.K, Bera, S, Shi, K, Aihara, H, Grandgenett, D.P. 登録日 2020-11-25 公開日 2021-03-17 最終更新日 2024-03-06 実験手法 ELECTRON MICROSCOPY (3.4 Å) 主引用文献 Cryo-EM structure of the Rous sarcoma virus octameric cleaved synaptic complex intasome. Commun Biol, 4, 2021
7L1P	HIV Integrase Core domain (IN) in complex with dimer-spanning ligand 分子名称: (2-{[3-(4-{2-[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzene-1-carbonyl)amino]ethyl}piperazine-1-carbonyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid, IODIDE ION, Integrase, ... 著者 Gorman, M.A, Parker, M.W. 登録日 2020-12-15 公開日 2021-12-22 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 HIV Integrase core domain in complex with inhibitor To Be Published
7L23	HIV Integrase core domain in complex with inhibitor 2-(5-(3-fluorophenyl)-2-(2-(thiophen-2-yl)ethynyl)-1- benzofuran-3-yl)ethanoic acid 分子名称: 3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid, IODIDE ION, Integrase, ... 著者 Gorman, M.A, Parker, M.W. 登録日 2020-12-16 公開日 2021-12-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 Rapid development of potent inhibitors of the HIV integrase-LEDGF interaction by fragment-linking using off-rate screening To Be Published
7L2Y	HIV Integrase core domain in complex with inhibitor 2-(5-(3-fluorophenyl)-2-(2-(thiophen-2-yl)ethynyl)-1- benzofuran-3-yl)ethanoic acid 分子名称: 4-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid, IODIDE ION, Integrase, ... 著者 Gorman, M.A, Parker, M.W. 登録日 2020-12-17 公開日 2021-12-22 実験手法 X-RAY DIFFRACTION (1.982 Å) 主引用文献 HIV Integrase core domain in complex with inhibitor To Be Published
7LQP	Rapid development of potent inhibitors of the HIV integrase-LEDGF interaction by fragment-linking using off-rate screening 分子名称: 2-[2-[2-[3-[2-[2-[2-[[3-[2-[3-(2-hydroxy-2-oxoethyl)-5-methyl-1-benzofuran-2-yl]ethynyl]phenyl]carbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]ethynyl]-5-methyl-1-benzofuran-3-yl]ethanoic acid, IODIDE ION, Integrase, ... 著者 Gorman, M.A, Parker, M.W. 登録日 2021-02-15 公開日 2022-02-23 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 Rapid development of potent inhibitors of the HIV integrase-LEDGF interaction by fragment-linking using off-rate screening To Be Published
7OUF	Structure of the STLV intasome:B56 complex bound to the strand-transfer inhibitor XZ450 分子名称: 4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide, DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), ... 著者 Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N. 登録日 2021-06-11 公開日 2021-08-18 最終更新日 2021-10-06 実験手法 ELECTRON MICROSCOPY (3 Å) 主引用文献 Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures. Nat Commun, 12, 2021
7OUG	STLV-1 intasome:B56 in complex with the strand-transfer inhibitor raltegravir 分子名称: DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), Integrase, ... 著者 Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N. 登録日 2021-06-11 公開日 2021-08-18 最終更新日 2021-10-06 実験手法 ELECTRON MICROSCOPY (3.1 Å) 主引用文献 Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures. Nat Commun, 12, 2021
7OUH	Structure of the STLV intasome:B56 complex bound to the strand-transfer inhibitor bictegravir 分子名称: Bictegravir, DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), ... 著者 Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N. 登録日 2021-06-11 公開日 2021-08-18 最終更新日 2021-10-06 実験手法 ELECTRON MICROSCOPY (3.5 Å) 主引用文献 Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures. Nat Commun, 12, 2021
7PEL	CryoEM structure of simian T-cell lymphotropic virus intasome in complex with PP2A regulatory subunit B56 gamma 分子名称: DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), Isoform 3 of PC4 and SFRS1-interacting protein,Isoform Gamma-2 of Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit gamma isoform, ... 著者 Barski, M, Pye, V.E, Nans, A, Cherepanov, P, Maertens, G.N. 登録日 2021-08-10 公開日 2021-08-25 実験手法 ELECTRON MICROSCOPY (3.34 Å) 主引用文献 Cryo-EM structure of the deltaretroviral intasome in complex with the PP2A regulatory subunit B56gamma. Nat Commun, 11, 2020
7Q5B	Cryo-EM structure of Ty3 retrotransposon targeting a TFIIIB-bound tRNA gene 分子名称: DNA (19-MER), DNA (31-MER), DNA (34-MER), ... 著者 Abascal-Palacios, G, Jochem, L, Pla-Prats, C, Beuron, F, Vannini, A. 登録日 2021-11-03 公開日 2022-01-26 実験手法 ELECTRON MICROSCOPY (3.98 Å) 主引用文献 Structural basis of Ty3 retrotransposon integration at RNA Polymerase III-transcribed genes. Nat Commun, 12, 2021
7RQ0	HIV Integrase CORE domain in complex with 2-{2-[2-(3-{[4-(2-{[(3-{2-[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}phenyl)methyl]amino}ethyl)piperazin-1-yl]methyl}phenyl)ethynyl]-5-methyl-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 2021-08-05 公開日 2022-08-10 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 HIV integrase-LEDGF interaction screening by fragment linking using off-rate screening To Be Published
7SEP	Cryo-EM Structure of the RT component of the HIV-1 Pol Polyprotein 分子名称: Gag-Pol polyprotein 著者 Lyumkis, D, Passos, D, Arnold, E, Harrison, J.J.E. 登録日 2021-10-01 公開日 2022-07-27 最終更新日 2024-06-05 実験手法 ELECTRON MICROSCOPY (3.8 Å) 主引用文献 Cryo-EM structure of the HIV-1 Pol polyprotein provides insights into virion maturation. Sci Adv, 8, 2022
7SIA	HIV Integrase core domain in complex with inhibitor 2-[2-(2-{3-[(4-{2-[(3-{2-[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}phenyl)formamido]ethyl}piperazin-1-yl)methyl]phenyl}ethynyl)-5-methyl-1-benzofuran-3-yl]acetic acid 分子名称: (2-{[3-({4-[2-(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzamido)ethyl]piperazin-1-yl}methyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid, IODIDE ION, Integrase, ... 著者 Gorman, M.A, Parker, M.W. 登録日 2021-10-12 公開日 2022-10-19 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 HIV Integrase core domain in complex with inhibitor To Be Published
7SJX	Cryo-EM Structure of the PR-RT components of the HIV-1 Pol Polyprotein 分子名称: Gag-Pol polyprotein 著者 Lyumkis, D, Passos, D, Arnold, E, Harrison, J.J.E.K, Ruiz, F.X. 登録日 2021-10-19 公開日 2022-07-27 最終更新日 2023-08-16 実験手法 ELECTRON MICROSCOPY (8.2 Å) 主引用文献 Cryo-EM structure of the HIV-1 Pol polyprotein provides insights into virion maturation. Sci Adv, 8, 2022
7T9H	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
7T9O	HIV Integrase in complex with Compound-25 分子名称: (2S)-tert-butoxy[4-(4,4-dimethylpiperidin-1-yl)-5-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,6-dimethylpyridin-3-yl]acetic acid, GLYCEROL, Integrase, ... 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 (1.95 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
7U2U	CRYSTAL STRUCTURE OF HIV-1 INTEGRASE COMPLEXED WITH Compound-2a AKA (2S)-2-(TERT-BUTOXY)-2-[7-(4,4-DIMETHYLPIPE RIDIN-1-YL)-8-{4-[2-(4-FLUOROPHENYL)ETHOXY]PHENYL}-2,5-DIM ETHYLIMIDAZO[1,2-A]PYRIDIN-6-YL]ACETIC ACID 分子名称: (2S)-tert-butoxy[(4S)-7-(4,4-dimethylpiperidin-1-yl)-8-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,5-dimethylimidazo[1,2-a]pyridin-6-yl]acetic acid, Integrase, SULFATE ION 著者 Khan, J.A, lewis, H, Kish, K. 登録日 2022-02-24 公開日 2022-06-08 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.839 Å) 主引用文献 Scaffold modifications to the 4-(4,4-dimethylpiperidinyl) 2,6-dimethylpyridinyl class of HIV-1 allosteric integrase inhibitors. Bioorg.Med.Chem., 67, 2022
7U32	MVV cleaved synaptic complex (CSC) intasome at 3.4 A resolution 分子名称: CALCIUM ION, DNA EV272, DNA EV273, ... 著者 Shan, Z, Pye, V.E, Cherepanov, P, Lyumkis, D. 登録日 2022-02-25 公開日 2022-05-11 最終更新日 2024-02-21 実験手法 ELECTRON MICROSCOPY (3.46 Å) 主引用文献 Multivalent interactions essential for lentiviral integrase function. Nat Commun, 13, 2022

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