8QV9
| Hexameric HIV-1 CA in complex with DDD01829021 | Descriptor: | 1,2-ETHANEDIOL, 7-bromanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one, Spacer peptide 1 | Authors: | Petit, A.P, Fyfe, P.K. | Deposit date: | 2023-10-17 | Release date: | 2024-03-27 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments. Chemmedchem, 19, 2024
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8QV4
| Hexameric HIV-1 CA in complex with DDD01728503 | Descriptor: | 1,2-ETHANEDIOL, Spacer peptide 1, ethyl 2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethanoate | Authors: | Petit, A.P, Fyfe, P.K. | Deposit date: | 2023-10-17 | Release date: | 2024-03-27 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments. Chemmedchem, 19, 2024
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8QV1
| Hexameric HIV-1 CA in complex with DDD01728505 | Descriptor: | Spacer peptide 1, methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate | Authors: | Petit, A.P, Fyfe, P.K. | Deposit date: | 2023-10-17 | Release date: | 2024-03-27 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments. Chemmedchem, 19, 2024
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8QUY
| Hexameric HIV-1 CA in complex with DDD01728501 | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-methylphenyl)methyl]-1~{H}-quinoxaline-2,3-dione, Spacer peptide 1 | Authors: | Petit, A.P, Fyfe, P.K. | Deposit date: | 2023-10-17 | Release date: | 2024-03-27 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments. Chemmedchem, 19, 2024
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8QUX
| Hexameric HIV-1 CA in complex with DDD00100333 | Descriptor: | 1,2-ETHANEDIOL, 4-benzyl-3,4-dihydroquinoxalin-2(1H)-one, Spacer peptide 1 | Authors: | Petit, A.P, Fyfe, P.K. | Deposit date: | 2023-10-17 | Release date: | 2024-03-27 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments. Chemmedchem, 19, 2024
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8QUW
| Hexameric HIV-1 CA in complex with DDD01044153 | Descriptor: | (4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one, 1,2-ETHANEDIOL, Spacer peptide 1 | Authors: | Petit, A.P, Fyfe, P.K. | Deposit date: | 2023-10-17 | Release date: | 2024-03-27 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments. Chemmedchem, 19, 2024
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8QUL
| Hexameric HIV-1 CA in complex with DDD00100555 | Descriptor: | 3-(BENZYLOXY)PYRIDIN-2-AMINE, Spacer peptide 1 | Authors: | Petit, A.P, Fyfe, P.K. | Deposit date: | 2023-10-16 | Release date: | 2024-03-27 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments. Chemmedchem, 19, 2024
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8QUK
| 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: | 2024-07-10 | 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, 19, 2024
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8QUJ
| 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: | 2024-07-10 | 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, 19, 2024
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8QUI
| 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: | 2024-07-10 | 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, 19, 2024
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8QUH
| 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: | 2024-07-10 | 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, 19, 2024
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8QUB
| 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: | 2024-07-10 | 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, 19, 2024
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8PUH
| 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
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8PUG
| 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
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8PT5
| ERK2 covelently bound to RU187 cyclohexenone based inhibitor | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Sok, P, Poti, A, Remenyi, A. | Deposit date: | 2023-07-13 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold To Be Published
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8PT3
| ERK2 covelently bound to RU77 cyclohexenone based inhibitor | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Sok, P, Poti, A, Remenyi, A. | Deposit date: | 2023-07-13 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold To Be Published
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8PT1
| ERK2 covelently bound to RU76 cyclohexenone based inhibitor | Descriptor: | Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ~{O}1-methyl ~{O}3-(phenylmethyl) (1~{S},3~{R})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate | Authors: | Sok, P, Poti, A, Remenyi, A, Gogl, G. | Deposit date: | 2023-07-13 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold To Be Published
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8PT0
| ERK2 covelently bound to RU75 cyclohexenone based inhibitor | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Sok, P, Poti, A, Remenyi, A, Gogl, G. | Deposit date: | 2023-07-13 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold To Be Published
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8PSY
| ERK2 covelently bound to RU68 cyclohexenone based inhibitor | Descriptor: | AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate | Authors: | Sok, P, Poti, A, Remenyi, A, Gogl, G. | Deposit date: | 2023-07-13 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold To Be Published
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8PSW
| ERK2 covalently bound to RU67 cyclohexenone based inhibitor | Descriptor: | AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{R},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate | Authors: | Sok, P, Poti, A, Remenyi, A, Gogl, G. | Deposit date: | 2023-07-13 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold To Be Published
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8PST
| ERK2 covelently bound to RU60 cyclohexenone based inhibitor | Descriptor: | AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{R},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate | Authors: | Sok, P, Poti, A, Remenyi, A, Gogl, G. | Deposit date: | 2023-07-13 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold To Be Published
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8PSR
| ERK2 covalently bound to SynthRevD-12-opt artificial peptide | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Sok, P, Poti, A, Gogl, G, Remenyi, A. | Deposit date: | 2023-07-13 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold To Be Published
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8OTF
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8GDV
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8G6O
| 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: | 2024-06-19 | 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
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