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8QUK
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BU of 8quk by Molmil
Hexameric HIV-1 CA in complex with DDD00100439
Descriptor: (phenylmethyl) 3-oxidanylidenepiperazine-1-carboxylate, 1,2-ETHANEDIOL, Spacer peptide 1
Authors:Petit, A.P, Fyfe, P.K.
Deposit date:2023-10-16
Release date:2024-03-27
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments.
Chemmedchem, 2024
8QUJ
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BU of 8quj by Molmil
Hexameric HIV-1 CA in complex with DDD00100452
Descriptor: 1,2-ETHANEDIOL, 3-(phenylmethyl)-1~{H}-imidazol-2-one, Spacer peptide 1
Authors:Petit, A.P, Fyfe, P.K.
Deposit date:2023-10-16
Release date:2024-03-27
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments.
Chemmedchem, 2024
8QUI
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BU of 8qui by Molmil
Hexameric HIV-1 CA in complex with DDD00024969
Descriptor: Spacer peptide 1, ethyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate
Authors:Petit, A.P, Fyfe, P.K.
Deposit date:2023-10-16
Release date:2024-03-27
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments.
Chemmedchem, 2024
8QUH
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BU of 8quh by Molmil
Hexameric HIV-1 CA in complex with DDD00057456
Descriptor: 4-methylquinolin-2-ol, Spacer peptide 1
Authors:Petit, A.P, Fyfe, P.K.
Deposit date:2023-10-16
Release date:2024-03-27
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments.
Chemmedchem, 2024
8QUB
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BU of 8qub by Molmil
Hexameric HIV-1 CA in complex with DDD00074110
Descriptor: (1~{S})-1-phenyl-2,4-dihydro-1~{H}-isoquinolin-3-one, Spacer peptide 1
Authors:Petit, A.P, Fyfe, P.K.
Deposit date:2023-10-16
Release date:2024-03-27
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments.
Chemmedchem, 2024
8PUH
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BU of 8puh by Molmil
Structure of the immature HTLV-1 CA lattice from full-length Gag VLPs: CA-CTD refinement
Descriptor: Gag polyprotein
Authors:Obr, M, Percipalle, M, Chernikova, D, Yang, H, Thader, A, Pinke, G, Porley, D, Mansky, L.M, Dick, R.A, Schur, F.K.M.
Deposit date:2023-07-17
Release date:2023-08-23
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Unconventional stabilization of the human T-cell leukemia virus type 1 immature Gag lattice.
Biorxiv, 2023
8PUG
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BU of 8pug by Molmil
Structure of the immature HTLV-1 CA lattice from full-length Gag VLPs: CA-NTD refinement
Descriptor: Gag polyprotein
Authors:Obr, M, Percipalle, M, Chernikova, D, Yang, H, Thader, A, Pinke, G, Porley, D, Mansky, L.M, Dick, R.A, Schur, F.K.M.
Deposit date:2023-07-17
Release date:2023-08-23
Method:ELECTRON MICROSCOPY (5.9 Å)
Cite:Unconventional stabilization of the human T-cell leukemia virus type 1 immature Gag lattice.
Biorxiv, 2023
8OTF
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BU of 8otf by Molmil
Ab typeII filament from Guam ALS/PDC
Descriptor: Amyloid-beta precursor protein
Authors:Qi, C, Yang, S, Scheres, S.H.W, Goedert, M.
Deposit date:2023-04-20
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Tau filaments from amyotrophic lateral sclerosis/parkinsonism-dementia complex adopt the CTE fold.
Proc.Natl.Acad.Sci.USA, 120, 2023
8G6O
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BU of 8g6o by Molmil
HIV-1 capsid lattice bound to IP6 and Lenacapavir
Descriptor: Capsid protein
Authors:Highland, C.M, Dick, R.A.
Deposit date:2023-02-15
Release date:2023-05-03
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into HIV-1 polyanion-dependent capsid lattice formation revealed by single particle cryo-EM.
Proc.Natl.Acad.Sci.USA, 120, 2023
8G6N
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BU of 8g6n by Molmil
HIV-1 capsid lattice bound to dNTPs
Descriptor: Capsid protein
Authors:Highland, C.M, Dick, R.A.
Deposit date:2023-02-15
Release date:2023-05-03
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural insights into HIV-1 polyanion-dependent capsid lattice formation revealed by single particle cryo-EM.
Proc.Natl.Acad.Sci.USA, 120, 2023
8G6M
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BU of 8g6m by Molmil
HIV-1 CA lattice bound to IP6, pH 7.4
Descriptor: Capsid protein
Authors:Highland, C.M, Dick, R.A.
Deposit date:2023-02-15
Release date:2023-05-03
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into HIV-1 polyanion-dependent capsid lattice formation revealed by single particle cryo-EM.
Proc.Natl.Acad.Sci.USA, 120, 2023
8G6L
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BU of 8g6l by Molmil
HIV-1 capsid lattice bound to IP6, pH 6.2
Descriptor: Capsid protein
Authors:Highland, C.M, Dick, R.A.
Deposit date:2023-02-15
Release date:2023-05-03
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural insights into HIV-1 polyanion-dependent capsid lattice formation revealed by single particle cryo-EM.
Proc.Natl.Acad.Sci.USA, 120, 2023
8G6K
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BU of 8g6k by Molmil
HIV-1 CA lattice bound to IP6; from capsid-like particles
Descriptor: Capsid protein
Authors:Highland, C.M, Dick, R.A.
Deposit date:2023-02-15
Release date:2023-05-03
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural insights into HIV-1 polyanion-dependent capsid lattice formation revealed by single particle cryo-EM.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FZC
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BU of 8fzc by Molmil
HIV-2 Gag Capsid from Immature Virus-like Particles
Descriptor: Spacer peptide 2
Authors:Talledge, N, Zhang, W, Mansky, L.M.
Deposit date:2023-01-28
Release date:2023-06-07
Last modified:2023-06-14
Method:ELECTRON MICROSCOPY (5.5 Å)
Cite:HIV-2 Immature Particle Morphology Provides Insights into Gag Lattice Stability and Virus Maturation.
J.Mol.Biol., 435, 2023
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
Descriptor: 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
Authors:Nolte, R.T.
Deposit date:2022-12-16
Release date:2023-02-15
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Potent Long-Acting Inhibitors Targeting the HIV-1 Capsid Based on a Versatile Quinazolin-4-one Scaffold.
J.Med.Chem., 66, 2023
8F22
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BU of 8f22 by Molmil
HIV-CA Disulfide linked Hexamer bound to 11l capsid inhibitor.
Descriptor: Capsid protein p24, Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide
Authors:Barnett, M.J, Goldstone, D.C.
Deposit date:2022-11-06
Release date:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a benzosulfonamide based inhibitor - bound to a disulfide stabilised HIV-1 capsid hexamer
Biorxiv, 2023
8ENJ
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BU of 8enj by Molmil
Design, synthesis, biological evaluation, and X-ray crystallography of diarylpyrazole derivatives possessing terminal arylsulfonamide moieties as anti-proliferative agents targeting c-Jun N-terminal kinase (JNK)
Descriptor: Mitogen-activated protein kinase 10, N-[3-({(4P)-4-[(3M)-1-tert-butyl-3-(3-hydroxyphenyl)-1H-pyrazol-4-yl]pyridin-2-yl}amino)propyl]-4-hydroxybenzene-1-sulfonamide
Authors:Park, H, Mersal, K.I.
Deposit date:2022-09-30
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Evaluation of novel pyrazol-4-yl pyridine derivatives possessing arylsulfonamide tethers as c-Jun N-terminal kinase (JNK) inhibitors in leukemia cells.
Eur.J.Med.Chem., 261, 2023
8EJL
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BU of 8ejl by Molmil
Structure of HIV-1 capsid declination in complex with CPSF6-FG peptide
Descriptor: Cleavage and polyadenylation specificity factor subunit 6, HIV-1 capsid protein
Authors:Pornillos, O, Ganser-Pornillos, B.K, Schirra, R.T, dos Santos, N.F.B.
Deposit date:2022-09-17
Release date:2023-02-15
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:A molecular switch modulates assembly and host factor binding of the HIV-1 capsid.
Nat.Struct.Mol.Biol., 30, 2023
8EFJ
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BU of 8efj by Molmil
A structural study of selectivity mechanisms for JNK3 and p38 alpha with indazole scaffold probing compounds
Descriptor: (4P)-4-[5-(2-chloro-6-fluoroanilino)-6-(methoxymethyl)-1H-indazol-1-yl]-N-methylthiophene-2-carboxamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Park, H, Feng, Y.
Deposit date:2022-09-08
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:A structural study of selectivity mechanisms for JNK3 and p38 alpha with indazole scaffold probing compounds
To Be Published
8EET
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BU of 8eet by Molmil
T=1 particle HIV-1 CA M66A
Descriptor: Gag polyprotein, INOSITOL HEXAKISPHOSPHATE
Authors:Pornillos, O, Ganser-Pornillos, B.K, Schirra, R.T.
Deposit date:2022-09-07
Release date:2023-02-15
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:A molecular switch modulates assembly and host factor binding of the HIV-1 capsid.
Nat.Struct.Mol.Biol., 30, 2023
8EEP
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BU of 8eep by Molmil
T=1 particle HIV-1 CA G60A/G61P
Descriptor: Gag polyprotein, INOSITOL HEXAKISPHOSPHATE
Authors:Pornillos, O, Ganser-Pornillos, B.K, Schirra, R.T.
Deposit date:2022-09-07
Release date:2023-02-15
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:A molecular switch modulates assembly and host factor binding of the HIV-1 capsid.
Nat.Struct.Mol.Biol., 30, 2023
8DGT
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BU of 8dgt by Molmil
Cryo-EM structure of a RAS/RAF complex (state 2)
Descriptor: 14-3-3 protein zeta, 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Eck, M.J, Jeon, H, Park, E, Rawson, S.
Deposit date:2022-06-24
Release date:2023-07-05
Last modified:2023-08-09
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM structure of a RAS/RAF recruitment complex.
Nat Commun, 14, 2023
8DGS
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BU of 8dgs by Molmil
Cryo-EM structure of a RAS/RAF complex (state 1)
Descriptor: 14-3-3 protein zeta, 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Eck, M.J, Jeon, H, Park, E, Rawson, S.
Deposit date:2022-06-24
Release date:2023-07-05
Last modified:2023-08-09
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Cryo-EM structure of a RAS/RAF recruitment complex.
Nat Commun, 14, 2023
8D3B
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BU of 8d3b by Molmil
Hexameric HIV-1 (M-group) Q50Y/R120 mutant
Descriptor: Capsid protein p24
Authors:Jacques, D.A, Govasli, M.L, Pinotsis, N, James, L.C.
Deposit date:2022-06-01
Release date:2022-10-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Evasion of cGAS and TRIM5 defines pandemic HIV.
Nat Microbiol, 7, 2022
8CPD
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BU of 8cpd by Molmil
Cryo-EM structure of CRaf dimer with 14:3:3
Descriptor: 14-3-3 protein zeta isoform X1, RAF proto-oncogene serine/threonine-protein kinase
Authors:Dedden, D, Graedler, U, Schwarz, D, Thomsen, M, Leuthner, B, Schneider, E, Nitsche, J.
Deposit date:2023-03-02
Release date:2024-02-21
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Cryo-EM Structures of CRAF 2 /14-3-3 2 and CRAF 2 /14-3-3 2 /MEK1 2 Complexes.
J.Mol.Biol., 436, 2024

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PDB entries from 2024-05-01

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