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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
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
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
7T13
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BU of 7t13 by Molmil
Hexameric HIV-1 (M-group) CA Q50Y mutant
分子名称: Capsid protein p24
著者Jacques, D.A, James, L.C.
登録日2021-12-01
公開日2022-10-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Evasion of cGAS and TRIM5 defines pandemic HIV.
Nat Microbiol, 7, 2022
7T12
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BU of 7t12 by Molmil
Hexameric HIV-1 (O-group) CA
分子名称: Capsid protein p24
著者Jacques, D.A, James, L.C.
登録日2021-12-01
公開日2022-10-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Evasion of cGAS and TRIM5 defines pandemic HIV.
Nat Microbiol, 7, 2022
7M9F
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BU of 7m9f by Molmil
Structure of the wild-type native full-length HIV-1 capsid protein in complex with ZW-1261
分子名称: HIV-1 capsid protein, IODIDE ION, N-(4-chlorophenyl)-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-methyl-L-phenylalaninamide
著者Kirby, K.A, Sarafianos, S.G.
登録日2021-03-31
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular Dynamics Free Energy Simulations Reveal the Mechanism for the Antiviral Resistance of the M66I HIV-1 Capsid Mutation.
Viruses, 13, 2021
7MN0
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BU of 7mn0 by Molmil
N74D mutant of the HIV-1 capsid protein
分子名称: IODIDE ION, capsid protein
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2021-04-30
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献TRIM5alpha Restriction of HIV-1-N74D Viruses in Lymphocytes Is Caused by a Loss of Cyclophilin A Protection.
Viruses, 14, 2022
7MKC
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BU of 7mkc by Molmil
N74D mutant of the HIV-1 capsid protein in complex with PF-3450074 (PF74)
分子名称: IODIDE ION, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE, capsid protein
著者Kirby, K.A, Sarafianos, S.G.
登録日2021-04-23
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献TRIM5alpha Restriction of HIV-1-N74D Viruses in Lymphocytes Is Caused by a Loss of Cyclophilin A Protection.
Viruses, 14, 2022
7NQQ
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BU of 7nqq by Molmil
Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]ethanamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
著者O'Reilly, M.
登録日2021-03-02
公開日2021-10-06
実験手法X-RAY DIFFRACTION (1.943 Å)
主引用文献Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J.Med.Chem., 64, 2021
7NQW
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BU of 7nqw by Molmil
Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]-3~{H}-isoindol-1-one, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
著者O'Reilly, M.
登録日2021-03-02
公開日2021-10-06
実験手法X-RAY DIFFRACTION (1.775 Å)
主引用文献Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J.Med.Chem., 64, 2021
7N9V
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BU of 7n9v by Molmil
CA-targeting nanobody is a tool for studying HIV-1 capsid lattice interactions
分子名称: Capsid protein, Nanobody-GYAR
著者Tripler, T.N.
登録日2021-06-18
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献CA-targeting nanobody is a tool for studying HIV-1 capsid lattice interactions
To Be Published
7N9U
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BU of 7n9u by Molmil
CA-targeting nanobody is a tool for studying HIV-1 capsid lattice interactions
分子名称: Capsid protein, Nanobody
著者Gerber, E.E, Digianantonio, K.M, Tripler, T.N, Smaga, S.S, Summers, B.J, Xiong, Y.
登録日2021-06-18
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献CA-targeting nanobody is a tool for studying HIV-1 capsid lattice interactions
To Be Published
7NR3
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BU of 7nr3 by Molmil
Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]-3~{H}-isoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M.
登録日2021-03-02
公開日2021-10-06
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J.Med.Chem., 64, 2021
7NR9
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BU of 7nr9 by Molmil
Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(2-methoxypyridin-4-yl)-2-oxidanyl-ethyl]propanamide, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M, Cleasby, A.
登録日2021-03-03
公開日2021-10-06
実験手法X-RAY DIFFRACTION (1.906 Å)
主引用文献Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J.Med.Chem., 64, 2021
7NR8
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BU of 7nr8 by Molmil
Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-2-oxidanyl-ethyl]propanamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者O'Reilly, M, Cleasby, A.
登録日2021-03-03
公開日2021-10-06
実験手法X-RAY DIFFRACTION (1.627 Å)
主引用文献Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J.Med.Chem., 64, 2021
7NR5
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BU of 7nr5 by Molmil
Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: (2~{R})-2-[5-[5-chloranyl-2-[(2-methyl-1,2,3-triazol-4-yl)amino]pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M, Cleasby, A.
登録日2021-03-03
公開日2021-10-06
実験手法X-RAY DIFFRACTION (1.766 Å)
主引用文献Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J.Med.Chem., 64, 2021
7MFE
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BU of 7mfe by Molmil
Autoinhibited BRAF:(14-3-3)2 complex with the BRAF RBD resolved
分子名称: 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf, ZINC ION
著者Martinez Fiesco, J.A, Ping, Z, Durrant, D.E, Morrison, D.K.
登録日2021-04-09
公開日2022-01-26
最終更新日2022-02-09
実験手法ELECTRON MICROSCOPY (4.07 Å)
主引用文献Structural insights into the BRAF monomer-to-dimer transition mediated by RAS binding.
Nat Commun, 13, 2022
7MFF
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BU of 7mff by Molmil
Dimeric (BRAF)2:(14-3-3)2 complex bound to SB590885 Inhibitor
分子名称: (1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-1-ONE OXIME, 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf
著者Martinez Fiesco, J.A, Ping, Z, Durrant, D.E, Morrison, D.K.
登録日2021-04-09
公開日2022-01-26
最終更新日2022-02-09
実験手法ELECTRON MICROSCOPY (3.89 Å)
主引用文献Structural insights into the BRAF monomer-to-dimer transition mediated by RAS binding.
Nat Commun, 13, 2022
8CL1
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BU of 8cl1 by Molmil
HIV-1 mature capsid hexamer from CA-IP6 CLPs, bound to CPSF6 peptide.
分子名称: Cleavage and polyadenylation specificity factor subunit 6, Gag polyprotein
著者Stacey, J.C.V, Briggs, J.A.G.
登録日2023-02-16
公開日2023-04-26
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Two structural switches in HIV-1 capsid regulate capsid curvature and host factor binding.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CKZ
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BU of 8ckz by Molmil
HIV-1 mature capsid pentamer from CA-IP6 CLPs bound to Nup153 peptide
分子名称: Gag polyprotein
著者Stacey, J.C.V, Briggs, J.A.G.
登録日2023-02-16
公開日2023-04-26
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Two structural switches in HIV-1 capsid regulate capsid curvature and host factor binding.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CKX
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BU of 8ckx by Molmil
HIV-1 mature capsid hexamer next to pentamer (type I) from CA-IP6 CLPs
分子名称: Gag polyprotein
著者Stacey, J.C.V, Briggs, J.A.G.
登録日2023-02-16
公開日2023-04-26
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Two structural switches in HIV-1 capsid regulate capsid curvature and host factor binding.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CKY
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BU of 8cky by Molmil
HIV-1 mature capsid hexamer from CA-IP6 CLPs, bound to Nup153 peptide
分子名称: Gag polyprotein, Nuclear pore complex protein Nup153
著者Stacey, J.C.V, Briggs, J.A.G.
登録日2023-02-16
公開日2023-04-26
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Two structural switches in HIV-1 capsid regulate capsid curvature and host factor binding.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CKV
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BU of 8ckv by Molmil
HIV-1 mature capsid hexamer from CA-IP6 CLPs
分子名称: Gag polyprotein
著者Stacey, J.C.V, Briggs, J.A.G.
登録日2023-02-16
公開日2023-04-26
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Two structural switches in HIV-1 capsid regulate capsid curvature and host factor binding.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CL3
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BU of 8cl3 by Molmil
HIV-1 mature capsid hexamer from CA-IP6 CLPs, bound to Sec24C peptide.
分子名称: Gag polyprotein, Protein transport protein Sec24C
著者Stacey, J.C.V, Briggs, J.A.G.
登録日2023-02-16
公開日2023-04-26
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Two structural switches in HIV-1 capsid regulate capsid curvature and host factor binding.
Proc.Natl.Acad.Sci.USA, 120, 2023

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件を2024-07-10に公開中

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