PDB: 364 件ウェブページステータス検索Chemie searchBIRD

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4TSX	HIV-1 Integrase Catalytic Core Domain Mutant Complexed with Allosteric Inhibitor 分子名称: (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, Integrase, SULFATE ION 著者 Feng, L, Kvaratskhelia, M. 登録日 2014-06-19 公開日 2014-12-17 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 The mechanism of H171T resistance reveals the importance of N -protonated His171 for the binding of allosteric inhibitor BI-D to HIV-1 integrase. Retrovirology, 11, 2014
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
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
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
5T3A	Maedi-Visna virus (MVV) integrase CCD-CTD (residues 60-275) 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, integrase 著者 Cook, N.J, Pye, V.E, Cherepanov, P. 登録日 2016-08-25 公開日 2017-01-18 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.501 Å) 主引用文献 A supramolecular assembly mediates lentiviral DNA integration. Science, 355, 2017
8WF7	The Crystal Structure of integrase from Biortus 分子名称: ACETATE ION, Integrase, SULFATE ION 著者 Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J. 登録日 2023-09-19 公開日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 The Crystal Structure of integrase from Biortus To Be Published
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
1ITG	CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HIV-1 INTEGRASE: SIMILARITY TO OTHER POLYNUCLEOTIDYL TRANSFERASES 分子名称: CACODYLATE ION, HIV-1 INTEGRASE 著者 Dyda, F, Hickman, A.B, Jenkins, T.M, Engelman, A, Craigie, R, Davies, D.R. 登録日 1994-11-21 公開日 1995-05-08 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal structure of the catalytic domain of HIV-1 integrase: similarity to other polynucleotidyl transferases. Science, 266, 1994
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
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
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
1CXQ	ATOMIC RESOLUTION ASV INTEGRASE CORE DOMAIN FROM AMMONIUM SULFATE 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AVIAN SARCOMA VIRUS INTEGRASE, GLYCEROL 著者 Lubkowski, J, Dauter, Z, Yang, F, Alexandratos, J, Merkel, G, Skalka, A.M, Wlodawer, A. 登録日 1999-08-30 公開日 1999-09-08 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.02 Å) 主引用文献 Atomic resolution structures of the core domain of avian sarcoma virus integrase and its D64N mutant. Biochemistry, 38, 1999
1CZB	ATOMIC RESOLUTION ASV INTEGRASE CORE DOMAIN FROM HEPES 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AVIAN SARCOMA VIRUS INTEGRASE 著者 Lubkowski, J, Dauter, Z, Yang, F, Alexandratos, J, Merkel, G, Skalka, A.M, Wlodawer, A. 登録日 1999-09-01 公開日 1999-09-08 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.06 Å) 主引用文献 Atomic resolution structures of the core domain of avian sarcoma virus integrase and its D64N mutant. Biochemistry, 38, 1999
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
1CZ9	ATOMIC RESOLUTION ASV INTEGRASE CORE DOMAIN (D64N) FROM CITRATE 分子名称: AVIAN SARCOMA VIRUS INTEGRASE, CITRIC ACID, SULFATE ION 著者 Lubkowski, J, Dauter, Z, Yang, F, Alexandratos, J, Merkel, G, Skalka, A.M, Wlodawer, A. 登録日 1999-09-01 公開日 1999-09-08 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Atomic resolution structures of the core domain of avian sarcoma virus integrase and its D64N mutant. Biochemistry, 38, 1999
1CXU	1.42A RESOLUTION ASV INTEGRASE CORE DOMAIN FROM CITRATE 分子名称: CITRIC ACID, GLYCEROL, PROTEIN (AVIAN SARCOMA VIRUS INTEGRASE) 著者 Lubkowski, J, Dauter, Z, Yang, F, Alexandratos, J, Wlodawer, A. 登録日 1999-08-30 公開日 1999-09-08 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 Atomic resolution structures of the core domain of avian sarcoma virus integrase and its D64N mutant. Biochemistry, 38, 1999
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
1EXQ	CRYSTAL STRUCTURE OF THE HIV-1 INTEGRASE CATALYTIC CORE DOMAIN 分子名称: CADMIUM ION, CHLORIDE ION, POL POLYPROTEIN, ... 著者 Chen, J.C.-H, Krucinski, J, Miercke, L.J.W, Finer-Moore, J.S, Tang, A.H, Leavitt, A.D, Stroud, R.M. 登録日 2000-05-03 公開日 2000-11-03 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal structure of the HIV-1 integrase catalytic core and C-terminal domains: a model for viral DNA binding. Proc.Natl.Acad.Sci.USA, 97, 2000
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
1HYV	HIV INTEGRASE CORE DOMAIN COMPLEXED WITH TETRAPHENYL ARSONIUM 分子名称: CHLORIDE ION, INTEGRASE, SULFATE ION, ... 著者 Molteni, V, Greenwald, J, Rhodes, D, Hwang, Y, Kwiatkowski, W, Bushman, F.D, Siegel, J.S, Choe, S. 登録日 2001-01-22 公開日 2001-04-04 最終更新日 2021-10-27 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Identification of a small-molecule binding site at the dimer interface of the HIV integrase catalytic domain. Acta Crystallogr.,Sect.D, 57, 2001
1HYZ	HIV INTEGRASE CORE DOMAIN COMPLEXED WITH A DERIVATIVE OF TETRAPHENYL ARSONIUM. 分子名称: (3,4-DIHYDROXY-PHENYL)-TRIPHENYL-ARSONIUM, CHLORIDE ION, INTEGRASE, ... 著者 Molteni, V, Greenwald, J, Rhodes, D, Hwang, Y, Kwiatkowski, W, Bushman, F.D, Siegel, J.S, Choe, S. 登録日 2001-01-22 公開日 2001-04-04 最終更新日 2021-10-27 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Identification of a small-molecule binding site at the dimer interface of the HIV integrase catalytic domain. Acta Crystallogr.,Sect.D, 57, 2001
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

 

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