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PDB: 13 件
6NUJ
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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
7KE0
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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
6PU1
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Cysteine stabilized hexameric HIV-1 CA in complex with SEC24C peptide
分子名称: CHLORIDE ION, Gag polyprotein, IODIDE ION, ...
著者Lindenberger, J.J, Kvaratskhelia, M.
登録日2019-07-16
公開日2021-01-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Cysteine stabilized hexameric HIV-1 CA in complex with SEC24C peptide
To Be Published
6EB1
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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
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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
8FX9
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BU of 8fx9 by Molmil
Crystal strucutre of Mycobacterium tuberculosis Mycothiol-S-transferase enzyme
分子名称: CHLORIDE ION, Mycothiol-S-transferase
著者Lindenberger, J.J, Jayasinghe, Y.P, Ronning, D.R.
登録日2023-01-24
公開日2023-04-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献The Mycobacterium tuberculosis mycothiol S -transferase is divalent metal-dependent for mycothiol binding and transfer.
Rsc Med Chem, 14, 2023
8GDO
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Crystal structure of DH1010 Fab
分子名称: DH1010 Fab Heavy Chain, DH1010 Fab Light chain
著者Lindenberger, J, Acharya, P.
登録日2023-03-06
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of DH1010 Fab
To Be Published
4U3C
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Docking Site of Maltohexaose in the Mtb GlgE
分子名称: Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Ronning, D.R, Lindenberger, J.J.
登録日2014-07-19
公開日2015-07-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.98 Å)
主引用文献Crystal structures of Mycobacterium tuberculosis GlgE and complexes with non-covalent inhibitors.
Sci Rep, 5, 2015
4U2Y
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Sco GlgEI-V279S in Complex with Reaction Intermediate Azasugar
分子名称: (2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl alpha-D-glucopyranoside, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1
著者Ronning, D.R, Lindenberger, J.J.
登録日2014-07-18
公開日2015-08-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.483 Å)
主引用文献Crystal structures of Mycobacterium tuberculosis GlgE and complexes with non-covalent inhibitors.
Sci Rep, 5, 2015
4U31
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Sco GlgEI-V279S in Complex with maltose-C-phosphonate
分子名称: 1,2-ETHANEDIOL, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, CITRIC ACID, ...
著者Ronning, D.R, Lindenberger, J.J.
登録日2014-07-18
公開日2015-07-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献Crystal structures of Mycobacterium tuberculosis GlgE and complexes with non-covalent inhibitors.
Sci Rep, 5, 2015
4U33
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Structure of Mtb GlgE bound to maltose
分子名称: Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Ronning, D.R, Lindenberger, J.J.
登録日2014-07-18
公開日2015-07-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.293 Å)
主引用文献Crystal structures of Mycobacterium tuberculosis GlgE and complexes with non-covalent inhibitors.
Sci Rep, 5, 2015
4U2Z
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X-ray crystal structure of an Sco GlgEI-V279S/1,2,2-trifluromaltose complex
分子名称: Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, alpha-D-glucopyranose-(1-4)-2-deoxy-2,2-difluoro-alpha-D-arabino-hexopyranosyl fluoride
著者Ronning, D.R, Lindenberger, J.J.
登録日2014-07-18
公開日2015-07-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Synthesis of 2-deoxy-2,2-difluoro-alpha-maltosyl fluoride and its X-ray structure in complex with Streptomyces coelicolor GlgEI-V279S.
Org.Biomol.Chem., 13, 2015
5VT4
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Sco GlgEI-V279S in complex with a pyrolidene-based methyl-phosphonate compound
分子名称: Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, {[(2R,3R,4R,5R)-3-(alpha-D-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]methyl}phosphonic acid
著者Petit, C, Ronning, D.R, Lindenberger, J.J.
登録日2017-05-15
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.205 Å)
主引用文献Zwitterionic pyrrolidene-phosphonates: inhibitors of the glycoside hydrolase-like phosphorylase Streptomyces coelicolor GlgEI-V279S.
Org. Biomol. Chem., 15, 2017

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