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

---

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
1QS4	Core domain of HIV-1 integrase complexed with Mg++ and 1-(5-chloroindol-3-yl)-3-hydroxy-3-(2H-tetrazol-5-yl)-propenone 分子名称: 1-(5-CHLOROINDOL-3-YL)-3-HYDROXY-3-(2H-TETRAZOL-5-YL)-PROPENONE, MAGNESIUM ION, PROTEIN (HIV-1 INTEGRASE (E.C.2.7.7.49)) 著者 Goldgur, Y, Craigie, R, Fujiwara, T, Yoshinaga, T, Davies, D.R. 登録日 1999-06-25 公開日 1999-11-17 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure of the HIV-1 integrase catalytic domain complexed with an inhibitor: a platform for antiviral drug design. Proc.Natl.Acad.Sci.USA, 96, 1999
8S9Q	HIV-1 Integrase Catalytic Core Domain (CCD) F185H Mutant Complexed with 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 Dinh, T, Kvaratskhelia, M. 登録日 2023-03-29 公開日 2024-02-07 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 HIV-1 Integrase Catalytic Core Domain Complexed with STP-0404 To Be Published
2ITG	CATALYTIC DOMAIN OF HIV-1 INTEGRASE: ORDERED ACTIVE SITE IN THE F185H CONSTRUCT 分子名称: HUMAN IMMUNODEFICIENCY VIRUS-1 INTEGRASE 著者 Bujacz, G, Alexandratos, J, Wlodawer, A, Zhou-Liu, Q, Clement-Mella, C. 登録日 1996-09-13 公開日 1997-03-12 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 The catalytic domain of human immunodeficiency virus integrase: ordered active site in the F185H mutant. FEBS Lett., 398, 1996
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
6W0U	HIV Integrase core domain in complex with inhibitor 2-(2-ethynyl-5-methyl-1-benzofuran-3-yl)acetic acid 分子名称: 2-(2-ethynyl-5-methyl-1-benzofuran-3-yl)ethanoic acid, IODIDE ION, Integrase, ... 著者 Gorman, M.A, Parker, M.W. 登録日 2020-03-02 公開日 2021-03-03 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 HIV Integrase core domain in complex with inhibitor To Be Published
6W42	HIV Integrase core domain in complex with inhibitor 2-(5-methyl-2-(2-(thiophen-2-yl)ethynyl)-1-benzofuran-3-yl)acetic acid 分子名称: 2-[5-methyl-2-(2-thiophen-2-ylethynyl)-1-benzofuran-3-yl]ethanoic acid, HIV Integrase catalytic domain, IODIDE ION, ... 著者 Gorman, M.A, Parker, M.W. 登録日 2020-03-09 公開日 2021-03-10 実験手法 X-RAY DIFFRACTION (2.26 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
6WC8	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: IODIDE ION, Integrase, SULFATE ION, ... 著者 Gorman, M.A, Parker, M.W. 登録日 2020-03-29 公開日 2021-03-31 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 HIV Integrase core domain in complex with inhibitor To Be Published
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
6NUJ	HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor BI-224436 分子名称: (2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid, Integrase 著者 Lindenberger, J.J, Kvaratskhelia, M. 登録日 2019-02-01 公開日 2019-12-11 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.100027 Å) 主引用文献 HIV-1 integrase tetramers are the antiviral target of pyridine-based allosteric integrase inhibitors. Elife, 8, 2019
3DLR	Crystal structure of the catalytic core domain from PFV integrase 分子名称: Integrase, MAGNESIUM ION 著者 Valkov, E, Cherepanov, P. 登録日 2008-06-29 公開日 2008-12-09 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Functional and structural characterization of the integrase from the prototype foamy virus. Nucleic Acids Res., 37, 2009
4Y1C	Cyclic hexapeptide cyc[NdPopPKID] in complex with HIV-1 integrase core domain 分子名称: CADMIUM ION, Cyclic hexapeptide cyc[NdPopPKID], Integrase, ... 著者 Wielens, J, Chalmers, D.K. 登録日 2015-02-07 公開日 2015-02-25 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 HEXAPEPTIDE MIMETICS OF LEDGF IN COMPLEX WITH HIV-1 INTEGRASE To Be Published
4Y1D	Cyclic hexapeptide cyc[NdPopPKID] in complex with HIV-1 integrase core domain 分子名称: CADMIUM ION, CHLORIDE ION, Cyclic hexapeptide cyc[NdPopPKID], ... 著者 Wielens, J, Chalmers, D.K. 登録日 2015-02-07 公開日 2015-05-13 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 HEXAPEPTIDE MIMETICS OF LEDGF IN COMPLEX WITH HIV-1 INTEGRASE To Be Published
6JCG	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
6JCF	Cryogenic structure of HIV-1 Integrase catalytic core domain by synchrotron 分子名称: CACODYLATE ION, Integrase 著者 Park, J.H, Han, J, Kim, T.H, Yun, J.H, Lee, W. 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 (2.153 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
1VSD	ASV INTEGRASE CORE DOMAIN WITH MG(II) COFACTOR AND HEPES LIGAND, HIGH MG CONCENTRATION FORM 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, INTEGRASE, MAGNESIUM ION 著者 Bujacz, G, Jaskolski, M, Alexandratos, J, Wlodawer, A. 登録日 1995-11-29 公開日 1996-04-03 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 The catalytic domain of avian sarcoma virus integrase: conformation of the active-site residues in the presence of divalent cations. Structure, 4, 1996
5KGW	HIV1 catalytic core domain in complex with inhibitor: (2~{S})-2-[3-(3,4-dihydro-2~{H}-chromen-6-yl)-1-methyl-indol-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid 分子名称: (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid, Integrase, SULFATE ION 著者 Feng, L, Kobe, M, Kvaratskhelia, M. 登録日 2016-06-13 公開日 2016-10-19 最終更新日 2018-03-07 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 Indole-based allosteric inhibitors of HIV-1 integrase. Bioorg.Med.Chem.Lett., 26, 2016
1VSH	ASV INTEGRASE CORE DOMAIN WITH ZN(II) COFACTORS 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, INTEGRASE, ZINC ION 著者 Bujacz, G, Alexandratos, J, Wlodawer, A. 登録日 1997-03-04 公開日 1997-05-15 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Binding of different divalent cations to the active site of avian sarcoma virus integrase and their effects on enzymatic activity. J.Biol.Chem., 272, 1997
1VSL	ASV INTEGRASE CORE DOMAIN D64N MUTATION WITH ZINC CATION 分子名称: PROTEIN (INTEGRASE), ZINC ION 著者 Lubkowski, J, Yang, F, Alexandratos, J, Wlodawer, A. 登録日 1998-09-18 公開日 1998-09-23 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural basis for inactivating mutations and pH-dependent activity of avian sarcoma virus integrase. J.Biol.Chem., 273, 1998
5KGX	HIV1 catalytic core domain in complex with an inhibitor (2~{S})-2-[3-(3,4-dihydro-2~{H}-chromen-6-yl)-1-methyl-indol-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid 分子名称: (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid, Integrase, SULFATE ION 著者 Feng, L, Kobe, M, Kvaratskhelia, M. 登録日 2016-06-13 公開日 2016-10-19 最終更新日 2018-03-07 実験手法 X-RAY DIFFRACTION (2.67 Å) 主引用文献 Indole-based allosteric inhibitors of HIV-1 integrase. Bioorg.Med.Chem.Lett., 26, 2016
5KRS	HIV-1 Integrase Catalytic Core Domain in Complex with an Allosteric Inhibitor, 3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid 分子名称: 3-pyrrol-1-ylthiophene-2-carboxylic acid, DIMETHYL SULFOXIDE, Integrase 著者 Patel, D, Bauman, J.D, Arnold, E. 登録日 2016-07-07 公開日 2016-09-28 最終更新日 2022-03-23 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 A New Class of Allosteric HIV-1 Integrase Inhibitors Identified by Crystallographic Fragment Screening of the Catalytic Core Domain. J.Biol.Chem., 291, 2016
6EB2	HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid 分子名称: (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid, Integrase 著者 Lindenberger, J.J, Kobe, M, Kvaratskhelia, M. 登録日 2018-08-03 公開日 2019-03-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.493 Å) 主引用文献 An Isoquinoline Scaffold as a Novel Class of Allosteric HIV-1 Integrase Inhibitors. ACS Med Chem Lett, 10, 2019
6EX9	Crystal Structure of HIV-1 Integrase Catalytic Core Domain with Inhibitor Peptide 分子名称: Inhibitor Peptide, Integrase 著者 Galilee, M, Alian, A. 登録日 2017-11-07 公開日 2018-06-06 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.014 Å) 主引用文献 Multimerization of HIV-1 integrase hinges on conserved SH3-docking platforms Biorxiv, 2018
6EB1	HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]acetic acid 分子名称: (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]acetic acid, Integrase 著者 Lindenberger, J.J, Kobe, M, Kvaratskhelia, M. 登録日 2018-08-03 公開日 2019-03-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 An Isoquinoline Scaffold as a Novel Class of Allosteric HIV-1 Integrase Inhibitors. ACS Med Chem Lett, 10, 2019
5CZ1	Crystal structure of the catalytic core domain of MMTV integrase 分子名称: integrase 著者 Cook, N, Ballandras-Colas, A, Engelman, A, Cherepanov, P. 登録日 2015-07-31 公開日 2016-02-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Cryo-EM reveals a novel octameric integrase structure for betaretroviral intasome function. Nature, 530, 2016

 

123456789101112131415>