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PDB: 136 件
8QUK
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BU of 8quk by Molmil
Hexameric HIV-1 CA in complex with DDD00100439
分子名称: (phenylmethyl) 3-oxidanylidenepiperazine-1-carboxylate, 1,2-ETHANEDIOL, Spacer peptide 1
著者Petit, A.P, Fyfe, P.K.
登録日2023-10-16
公開日2024-03-27
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments.
Chemmedchem, 19, 2024
8QUH
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BU of 8quh by Molmil
Hexameric HIV-1 CA in complex with DDD00057456
分子名称: 4-methylquinolin-2-ol, Spacer peptide 1
著者Petit, A.P, Fyfe, P.K.
登録日2023-10-16
公開日2024-03-27
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments.
Chemmedchem, 19, 2024
8FIU
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BU of 8fiu by Molmil
Potent long-acting inhibitors targeting HIV-1 capsid based on a versatile quinazolin-4-one scaffold
分子名称: 1,2-ETHANEDIOL, HIV-1 capsid, N-[(1S)-1-{(3P)-3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-oxo-3,4-dihydroquinazolin-2-yl}-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-3-(difluoromethyl)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide
著者Nolte, R.T.
登録日2022-12-16
公開日2023-02-15
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Potent Long-Acting Inhibitors Targeting the HIV-1 Capsid Based on a Versatile Quinazolin-4-one Scaffold.
J.Med.Chem., 66, 2023
8QUB
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BU of 8qub by Molmil
Hexameric HIV-1 CA in complex with DDD00074110
分子名称: (1~{S})-1-phenyl-2,4-dihydro-1~{H}-isoquinolin-3-one, Spacer peptide 1
著者Petit, A.P, Fyfe, P.K.
登録日2023-10-16
公開日2024-03-27
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments.
Chemmedchem, 19, 2024
8QUJ
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BU of 8quj by Molmil
Hexameric HIV-1 CA in complex with DDD00100452
分子名称: 1,2-ETHANEDIOL, 3-(phenylmethyl)-1~{H}-imidazol-2-one, Spacer peptide 1
著者Petit, A.P, Fyfe, P.K.
登録日2023-10-16
公開日2024-03-27
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments.
Chemmedchem, 19, 2024
8QUL
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BU of 8qul by Molmil
Hexameric HIV-1 CA in complex with DDD00100555
分子名称: 3-(BENZYLOXY)PYRIDIN-2-AMINE, Spacer peptide 1
著者Petit, A.P, Fyfe, P.K.
登録日2023-10-16
公開日2024-03-27
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments.
Chemmedchem, 19, 2024
8QUI
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BU of 8qui by Molmil
Hexameric HIV-1 CA in complex with DDD00024969
分子名称: Spacer peptide 1, ethyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate
著者Petit, A.P, Fyfe, P.K.
登録日2023-10-16
公開日2024-03-27
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments.
Chemmedchem, 19, 2024
5JPA
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BU of 5jpa by Molmil
Hexameric HIV-1 CA H12Y mutant
分子名称: Capsid Protein P24
著者Jacques, D.A, James, L.C.
登録日2016-05-03
公開日2016-08-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献HIV-1 uses dynamic capsid pores to import nucleotides and fuel encapsidated DNA synthesis.
Nature, 536, 2016
8QV9
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BU of 8qv9 by Molmil
Hexameric HIV-1 CA in complex with DDD01829021
分子名称: 1,2-ETHANEDIOL, 7-bromanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one, Spacer peptide 1
著者Petit, A.P, Fyfe, P.K.
登録日2023-10-17
公開日2024-03-27
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments.
Chemmedchem, 19, 2024
4U0C
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BU of 4u0c by Molmil
Hexameric HIV-1 CA in complex with Nup153 peptide, P6 crystal form
分子名称: Capsid protein p24, Nuclear pore complex protein Nup153
著者Price, A.J, Jacques, D.A, James, L.C.
登録日2014-07-11
公開日2014-11-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly.
Plos Pathog., 10, 2014
8QUY
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BU of 8quy by Molmil
Hexameric HIV-1 CA in complex with DDD01728501
分子名称: 1,2-ETHANEDIOL, 4-[(4-methylphenyl)methyl]-1~{H}-quinoxaline-2,3-dione, Spacer peptide 1
著者Petit, A.P, Fyfe, P.K.
登録日2023-10-17
公開日2024-03-27
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments.
Chemmedchem, 19, 2024
5TSX
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BU of 5tsx by Molmil
HIV-1 CA hexamer with NUP153 peptide - P1 crystal form
分子名称: 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID, HIV-1 CA protein, Nuclear pore complex protein Nup153
著者Skorupka, K, Ganser-Pornillos, B.K, Pornillos, O.
登録日2016-10-31
公開日2017-11-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献HIV-1 CA hexamer with NUP153 peptide - P1 crystal form
To Be Published
5HGN
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BU of 5hgn by Molmil
Hexameric HIV-1 CA, apo form
分子名称: Capsid protein P24
著者Jacques, D.A, Price, A.J, James, D.A.
登録日2016-01-08
公開日2016-08-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献HIV-1 uses dynamic capsid pores to import nucleotides and fuel encapsidated DNA synthesis.
Nature, 536, 2016
6R8C
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BU of 6r8c by Molmil
HIV capsid hexamer with IP5 ligand
分子名称: Gag polyprotein, MYO-INOSITOL-(1,3,4,5,6)-PENTAKISPHOSPHATE
著者James, L.C.
登録日2019-04-01
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献HIV hexamer
to be published
4XRQ
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BU of 4xrq by Molmil
Disulfide stabilized HIV-1 CA hexamer 4mut (S41A, Q67H, V165I, L172I) in complex with PF-3450074
分子名称: Capsid protein p24, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE
著者Price, A.J, James, L.C.
登録日2015-01-21
公開日2015-07-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献HIV-1 Resistance to the Capsid-Targeting Inhibitor PF74 Results in Altered Dependence on Host Factors Required for Virus Nuclear Entry.
J.Virol., 89, 2015
5HGP
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BU of 5hgp by Molmil
Hexameric HIV-1 CA in complex with hexacarboxybenzene
分子名称: BENZENE HEXACARBOXYLIC ACID, Capsid protein P24
著者Jacques, D.A, James, L.C.
登録日2016-01-08
公開日2016-10-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献HIV-1 uses dynamic capsid pores to import nucleotides and fuel encapsidated DNA synthesis.
Nature, 536, 2016
2X2D
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BU of 2x2d by Molmil
acetyl-CypA:HIV-1 N-term capsid domain complex
分子名称: CAPSID PROTEIN P24, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
著者Lammers, M, Neumann, H, Chin, J.W, James, L.C.
登録日2010-01-12
公開日2010-03-23
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Acetylation Regulates Cyclophilin a Catalysis, Immunosuppression and HIV Isomerisation
Nat.Chem.Biol., 6, 2010
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
6BHS
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BU of 6bhs by Molmil
HIV-1 CA hexamer in complex with IP6, hexagonal crystal form
分子名称: Capsid protein p24, INOSITOL HEXAKISPHOSPHATE
著者Zadrozny, K, Wagner, J.M, Ganser-Pornillos, B.K, Pornillos, O.
登録日2017-10-31
公開日2018-08-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.984 Å)
主引用文献Inositol phosphates are assembly co-factors for HIV-1.
Nature, 560, 2018
6H09
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BU of 6h09 by Molmil
HIV capsid hexamer with IP6 ligand
分子名称: Gag polyprotein, INOSITOL HEXAKISPHOSPHATE
著者James, L.C.
登録日2018-07-06
公開日2018-08-15
最終更新日2020-10-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献IP6 is an HIV pocket factor that prevents capsid collapse and promotes DNA synthesis.
Elife, 7, 2018
6ERM
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BU of 6erm by Molmil
HIV Hexamer with ligand
分子名称: 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-TRIPHOSPHATE, Gag polyprotein
著者James, L.C.
登録日2017-10-18
公開日2018-11-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献HIV hexamer
To Be Published
6B2K
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BU of 6b2k by Molmil
E45A/R132T mutant of HIV-1 capsid protein
分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-09-20
公開日2018-09-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023
8QVA
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BU of 8qva by Molmil
Hexameric HIV-1 CA in complex with DDD01829894
分子名称: 1,2-ETHANEDIOL, 7-azanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one, Spacer peptide 1
著者Petit, A.P, Fyfe, P.K.
登録日2023-10-17
公開日2024-03-27
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments.
Chemmedchem, 19, 2024
5HGO
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BU of 5hgo by Molmil
Hexameric HIV-1 CA R18G mutant
分子名称: Capsid protein P24
著者Jacques, D.A, James, L.C.
登録日2016-01-08
公開日2016-08-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献HIV-1 uses dynamic capsid pores to import nucleotides and fuel encapsidated DNA synthesis.
Nature, 536, 2016
6V2F
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BU of 6v2f by Molmil
Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, GS-6207
分子名称: HIV-1 capsid, N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-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-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide
著者Appleby, T.C, Link, J.O, Yant, S.R, Villasenor, A.G, Somoza, J.R, Hu, E.Y, Schroeder, S.D, Cihlar, T.
登録日2019-11-22
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Clinical targeting of HIV capsid protein with a long-acting small molecule.
Nature, 584, 2020

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件を2024-08-07に公開中

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