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PDB: 37 件
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
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
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
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
6CQU
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BU of 6cqu by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase with Reactivator HI-6
分子名称: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J.
登録日2018-03-16
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.308 Å)
主引用文献Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6.
Chem. Res. Toxicol., 31, 2018
6CQX
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BU of 6cqx by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by VX(+)
分子名称: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J.
登録日2018-03-16
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6.
Chem. Res. Toxicol., 31, 2018
6CQW
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BU of 6cqw by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with VX(-) and HI-6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ...
著者Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J.
登録日2018-03-16
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.278 Å)
主引用文献Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6.
Chem. Res. Toxicol., 31, 2018
6CQY
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BU of 6cqy by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with EMPA and HI-6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ...
著者Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J.
登録日2018-03-16
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.449 Å)
主引用文献Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6.
Chem. Res. Toxicol., 31, 2018
6CQV
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BU of 6cqv by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with VX(+) and HI-6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J.
登録日2018-03-16
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6.
Chem. Res. Toxicol., 31, 2018
6CQT
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BU of 6cqt by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by (-) Stereoisomer of VX
分子名称: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J.
登録日2018-03-16
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.273 Å)
主引用文献Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6.
Chem. Res. Toxicol., 31, 2018
6CQZ
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BU of 6cqz by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by VX
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
著者Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J.
登録日2018-03-16
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.216 Å)
主引用文献Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6.
Chem. Res. Toxicol., 31, 2018
9BLG
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BU of 9blg by Molmil
Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with PF-07284892
分子名称: (1S)-1'-{6-[(2-amino-3-chloropyridin-4-yl)sulfanyl]-1,2,4-triazin-3-yl}-1,3-dihydrospiro[indene-2,4'-piperidin]-1-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Bester, S.M, Wu, W.-I, Mou, T.-C.
登録日2024-04-30
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献SHP2 Inhibition Sensitizes Diverse Oncogene-Addicted Solid Tumors to Re-treatment with Targeted Therapy.
Cancer Discov, 13, 2023
7RAR
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BU of 7rar by Molmil
Structure of Q67H mutant of disulfide stabilized HIV-1 CA hexamer
分子名称: CHLORIDE ION, Capsid protein p24, IODIDE ION
著者Bester, S.M, Kvaratskhelia, M.
登録日2021-07-02
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
7RJ2
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BU of 7rj2 by Molmil
Co-crystal structure of lenacapavir bound to Q67H/N74D mutant of disulfide stabilized HIV-1 CA hexamer
分子名称: CHLORIDE ION, Capsid protein p24, IODIDE ION, ...
著者Bester, S.M, Kvaratskhelia, M.
登録日2021-07-20
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
7RJ4
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BU of 7rj4 by Molmil
Co-crystal structure of lenacapavir bound to N74D mutant of disulfide stabilized HIV-1 CA hexamer
分子名称: CAPSID PROTEIN P24, CHLORIDE ION, IODIDE ION, ...
著者Bester, S.M, Kvaratskhelia, M.
登録日2021-07-20
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.32 Å)
主引用文献Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
7RHN
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BU of 7rhn by Molmil
Co-crystal structure of Q67H mutant of disulfide stabilized HIV-1 CA hexamer and lenacapavir
分子名称: CHLORIDE ION, Capsid protein p24, IODIDE ION, ...
著者Bester, S.M, Kvaratskhelia, M.
登録日2021-07-17
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
7RHM
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BU of 7rhm by Molmil
Structure of Q67H/N74D mutant of disulfide stabilized HIV-1 CA hexamer
分子名称: CAPSID PROTEIN P24, CHLORIDE ION, IODIDE ION
著者Bester, S.M, Kvaratskhelia, M.
登録日2021-07-17
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
7RMJ
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BU of 7rmj by Molmil
Disulfide stabilized HIV-1 CA hexamer in complex with capsid inhibitor (S)-N-(1-(3-(4-chloro-3-(methylsulfonamido)-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl)-6-(3-methyl-3-(methylsulfonyl)but-1-yn-1-yl)pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamide
分子名称: CAPSID PROTEIN P24, CHLORIDE ION, IODIDE ION, ...
著者Bester, S.M, Kvaratskhelia, M.
登録日2021-07-27
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
7RMM
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BU of 7rmm by Molmil
Structure of N74D mutant of disulfide stabilized HIV-1 CA hexamer
分子名称: CAPSID PROTEIN P24, CHLORIDE ION, IODIDE ION
著者Bester, S.M, Kvaratskhelia, M.
登録日2021-07-27
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
7RAO
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BU of 7rao by Molmil
Structure of M66I mutant of disulfide stabilized HIV-1 CA hexamer
分子名称: CHLORIDE ION, Capsid protein p24, IODIDE ION
著者Bester, S.M, Kvaratskhelia, M.
登録日2021-07-02
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structural and mechanistic bases of viral resistance to long-acting HIV-1 capsid inhibitor, Lenacapavir
To Be Published
6NEA
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BU of 6nea by Molmil
Human Acetylcholinesterase in complex with reactivator, HLo7
分子名称: 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Bester, S.M, McGuire, J, Height, J.J, Pegan, S.D.
登録日2018-12-17
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.419 Å)
主引用文献Synthesis and Molecular Properties of Nerve Agent Reactivator HLo-7 Dimethanesulfonate.
Acs Med.Chem.Lett., 10, 2019
6NTM
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BU of 6ntm by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by A-232 in Complex with the Reactivator, HI-6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ...
著者Bester, S.M, Guelta, M.A, Height, J.J, Pegan, S.D.
登録日2019-01-29
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.552 Å)
主引用文献Insights into inhibition of human acetylcholinesterase by Novichok, A-series Nerve Agents
To Be Published
6NTK
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BU of 6ntk by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by A-232
分子名称: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Bester, S.M, Guelta, M.A, Height, J.J, Pegan, S.D.
登録日2019-01-29
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.406 Å)
主引用文献Insights into inhibition of human acetylcholinesterase by Novichok, A-series Nerve Agents
To Be Published
6O69
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BU of 6o69 by Molmil
Crystal Structure of Double Mutant L380R/F535K of Human Acetylcholinesterase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
著者Bester, S.M, Height, J.J, Pegan, S.D.
登録日2019-03-05
公開日2019-05-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.081 Å)
主引用文献The structural and biochemical impacts of monomerizing human acetylcholinesterase.
Protein Sci., 28, 2019
6NTL
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BU of 6ntl by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by A-234
分子名称: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
著者Bester, S.M, Guelta, M.A, Height, J.J, Pegan, S.D.
登録日2019-01-29
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Insights into inhibition of human acetylcholinesterase by Novichok, A-series Nerve Agents
To Be Published

 

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