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8D3S
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BU of 8d3s by Molmil
HIV-1 Integrase Catalytic Core Domain F185H Mutant Complexed with BKC-110
分子名称: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,6-dimethyl-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2022-06-01
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献HIV-1 Integrase Catalytic Core Domain Complexed with BKC-110
To Be Published
8S9Q
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BU of 8s9q by Molmil
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
5JL4
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BU of 5jl4 by Molmil
Inhibitor resistant mutant catalytic core domain of HIV-1 Integrase
分子名称: Integrase, SULFATE ION
著者Feng, L, Kobe, M, Kvaratskhelia, M.
登録日2016-04-26
公開日2017-10-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.758 Å)
主引用文献Resistance to pyridine-based inhibitor KF116 reveals an unexpected role of integrase in HIV-1 Gag-Pol polyprotein proteolytic processing.
J. Biol. Chem., 292, 2017
4TSX
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BU of 4tsx by Molmil
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
7SNQ
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BU of 7snq by Molmil
Hexamer HIV-1 CA in complex with CPSF6 peptide and IP6 ligand
分子名称: CHLORIDE ION, Capsid protein p24, Cleavage and polyadenylation specificity factor subunit 6, ...
著者Bester, S.M, Kvaratskhelia, M.
登録日2021-10-28
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Prion-like low complexity regions enable avid virus-host interactions during HIV-1 infection.
Nat Commun, 13, 2022
7SNN
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BU of 7snn by Molmil
Disulfide stabilized HIV-1 CA hexamer in complex with capsid inhibitor N-(1-(3-(4-chloro-1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(difluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl)acetamide
分子名称: CHLORIDE ION, Capsid protein p24, IODIDE ION, ...
著者Bester, S.M, Kvaratskhelia, M.
登録日2021-10-28
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Disulfide stabilized HIV-1 CA hexamer in complex with capsid inhibitor N-(1-(3-(4-chloro-1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(difluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl)acetamide
To Be Published
7SNL
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BU of 7snl by Molmil
Disulfide stabilized HIV-1 CA hexamer in complex with capsid inhibitor N-(1-(3-(4-chloro-1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamide
分子名称: CHLORIDE ION, Capsid protein p24, IODIDE ION, ...
著者Bester, S.M, Kvaratskhelia, M.
登録日2021-10-28
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Disulfide stabilized HIV-1 CA hexamer in complex with capsid inhibitor N-(1-(3-(4-chloro-1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamide
To Be Published
1HH1
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BU of 1hh1 by Molmil
THE STRUCTURE OF HJC, A HOLLIDAY JUNCTION RESOLVING ENZYME FROM SULFOLOBUS SOLFATARICUS
分子名称: HOLLIDAY JUNCTION RESOLVING ENZYME HJC
著者Bond, C.S, Kvaratskhelia, M, Richard, D, White, M.F, Hunter, W.N.
登録日2000-12-18
公開日2001-04-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure of Hjc, a Holliday Junction Resolvase, from Sulfolobus Solfataricus
Proc.Natl.Acad.Sci.USA, 98, 2001
7KE0
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BU of 7ke0 by Molmil
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
6NUJ
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BU of 6nuj by Molmil
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
6PU1
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BU of 6pu1 by Molmil
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
2V0X
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BU of 2v0x by Molmil
The dimerization domain of LAP2alpha
分子名称: LAMINA-ASSOCIATED POLYPEPTIDE 2 ISOFORMS ALPHA/ZETA
著者Bradley, C.M, Jones, S, Huang, Y, Suzuki, Y, Kvaratskhelia, M, Hickman, A.B, Craigie, R, Dyda, F.
登録日2007-05-20
公開日2007-06-26
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis for Dimerization of Lap2Alpha, a Component of the Nuclear Lamina.
Structure, 15, 2007
4DMN
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BU of 4dmn by Molmil
HIV-1 Integrase Catalytical Core Domain
分子名称: (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid, ARSENIC, HIV-1 Integrase, ...
著者Feng, L, Kvaratskhelia, M.
登録日2012-02-08
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Multimode, cooperative mechanism of action of allosteric HIV-1 integrase inhibitors.
J.Biol.Chem., 287, 2012
6VKV
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BU of 6vkv by Molmil
Co-crystal structure of GS-6207 bound to HIV-1 capsid hexamer
分子名称: CHLORIDE ION, Capsid protein p24, IODIDE ION, ...
著者Bester, S.M, Kvaratskhelia, M.
登録日2020-01-22
公開日2020-10-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structural and mechanistic bases for a potent HIV-1 capsid inhibitor.
Science, 370, 2020
6VWS
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BU of 6vws by Molmil
Hexamer of Helical HIV capsid by RASTR method
分子名称: HIV capsid protein
著者Zhao, H, Iqbal, N, Asturias, F, Kvaratskhelia, M, Vanblerkom, P.
登録日2020-02-20
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (6.08 Å)
主引用文献Structural and mechanistic bases for a potent HIV-1 capsid inhibitor.
Science, 370, 2020
6EB1
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BU of 6eb1 by Molmil
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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BU of 6eb2 by Molmil
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
8GDV
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BU of 8gdv by Molmil
Structure of M66I mutant of disulfide stabilized HIV-1 CA hexamer in complex with CPSF6 peptide and IP6
分子名称: Cleavage and polyadenylation specificity factor subunit 6, Gag polyprotein, INOSITOL HEXAKISPHOSPHATE
著者Briganti, L, Schope, L, Kvaratskhelia, M.
登録日2023-03-06
公開日2024-03-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure of M66I mutant of disulfide stabilized HIV-1 CA hexamer in complex with CPSF6 peptide and IP6
To Be Published
4O0J
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BU of 4o0j by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid
分子名称: (2S)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid, Integrase, SULFATE ION
著者Feng, L, Kvaratskhelia, M.
登録日2013-12-13
公開日2014-07-02
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A New Class of Multimerization Selective Inhibitors of HIV-1 Integrase.
Plos Pathog., 10, 2014
4O5B
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BU of 4o5b by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid
分子名称: (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid, Integrase, SULFATE ION
著者Feng, L, Kvaratskhelia, M.
登録日2013-12-19
公開日2014-07-02
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献A New Class of Multimerization Selective Inhibitors of HIV-1 Integrase.
Plos Pathog., 10, 2014
4O55
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HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid
分子名称: (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid, Integrase, SULFATE ION
著者Feng, L, Kvaratskhelia, M.
登録日2013-12-19
公開日2014-07-02
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献A New Class of Multimerization Selective Inhibitors of HIV-1 Integrase.
Plos Pathog., 10, 2014
4GW6
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BU of 4gw6 by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor
分子名称: (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](tert-butoxy)ethanoic acid, ARSENIC, Gag-Pol polyprotein
著者Feng, L, Kvaratskhelia, M.
登録日2012-08-31
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献The A128T Resistance Mutation Reveals Aberrant Protein Multimerization as the Primary Mechanism of Action of Allosteric HIV-1 Integrase Inhibitors.
J.Biol.Chem., 288, 2013
4GVM
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HIV-1 Integrase Catalytic Core Domain A128T Mutant Complexed with Allosteric Inhibitor
分子名称: (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](tert-butoxy)ethanoic acid, ARSENIC, Gag-Pol polyprotein
著者Feng, L, Kvaratskhelia, M.
登録日2012-08-30
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献The A128T Resistance Mutation Reveals Aberrant Protein Multimerization as the Primary Mechanism of Action of Allosteric HIV-1 Integrase Inhibitors.
J.Biol.Chem., 288, 2013
4ID1
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BU of 4id1 by Molmil
HIV-1 Integrase Catalytic Core Domain 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, Gag-Pol polyprotein, SULFATE ION
著者Feng, L, Kvaratskhelia, M.
登録日2012-12-11
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Allosteric integrase inhibitor potency is determined through the inhibition of HIV-1 particle maturation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4JLH
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HIV-1 Integrase Catalytic Core Domain A128T Mutant Complexed with Allosteric Inhibitor
分子名称: (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid, HIV-1 Integrase catalytic core domain, SULFATE ION
著者Feng, L, Kvaratskhelia, M.
登録日2013-03-12
公開日2013-05-01
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The A128T Resistance Mutation Reveals Aberrant Protein Multimerization as the Primary Mechanism of Action of Allosteric HIV-1 Integrase Inhibitors.
J.Biol.Chem., 288, 2013

 

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