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6S3A
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BU of 6s3a by Molmil
Coxsackie B3 2C protein in complex with S-Fluoxetine
Descriptor: (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, 2C protein, CHLORIDE ION, ...
Authors:El Kazzi, P, Papageorgiou, N, Ferron, F.P, Bauer, L, van Kuppeveld, F, Coutard, B.
Deposit date:2019-06-24
Release date:2021-01-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Fluoxetine targets an allosteric site in the enterovirus 2C AAA+ ATPase and stabilizes a ring-shaped hexameric complex.
Sci Adv, 8, 2022
2LOD
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BU of 2lod by Molmil
Solution-state structure of an intramolecular G-quadruplex with propeller, diagonal and edgewise loops
Descriptor: DNA (5'-D(*GP*GP*GP*AP*TP*GP*GP*GP*AP*CP*AP*CP*AP*GP*GP*GP*GP*AP*CP*GP*GP*G)-3')
Authors:Marusic, M, Sket, P, Bauer, L, Viglasky, V, Plavec, J.
Deposit date:2012-01-23
Release date:2012-05-30
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution-state structure of an intramolecular G-quadruplex with propeller, diagonal and edgewise loops.
Nucleic Acids Res., 40, 2012
6T3W
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BU of 6t3w by Molmil
Coxsackie B3 2C protein in complex with S-Fluoxetine
Descriptor: (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, 2C protein, SODIUM ION, ...
Authors:El Kazzi, P, Papageorgiou, N, Ferron, F.P, Bauer, L, van Kuppeveld, F, Coutard, B.
Deposit date:2019-10-11
Release date:2020-11-18
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Fluoxetine targets an allosteric site in the enterovirus 2C AAA+ ATPase and stabilizes a ring-shaped hexameric complex.
Sci Adv, 8, 2022
7KSI
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BU of 7ksi by Molmil
Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
Descriptor: 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-5-methyl-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2020-11-23
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.726 Å)
Cite:Thiophene-Pyrazolourea Derivatives as Potent, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7KSK
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BU of 7ksk by Molmil
Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
Descriptor: 4-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2020-11-23
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Thiophene-Pyrazolourea Derivatives as Potent, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7KSJ
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BU of 7ksj by Molmil
Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
Descriptor: 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2020-11-23
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Thiophene-Pyrazolourea Derivatives as Potent, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
8S86
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BU of 8s86 by Molmil
human PLD3 homodimer structure
Descriptor: 5'-3' exonuclease PLD3
Authors:Lammens, K.
Deposit date:2024-03-05
Release date:2024-05-15
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Lysosomal endonuclease RNase T2 and PLD exonucleases cooperatively generate RNA ligands for TLR7 activation.
Immunity, 57, 2024
8FRT
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BU of 8frt by Molmil
X-ray crystal structure of the N-terminal region from HCMV US11 binding to HLA-A*02:01
Descriptor: GLYCEROL, Unique short US11 glycoprotein, Beta-2-microglobulin, ...
Authors:Watson, G.M, Berry, R, Rossjohn, J.
Deposit date:2023-01-08
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Diverse cytomegalovirus US11 antagonism and MHC-A evasion strategies reveal a tit-for-tat coevolutionary arms race in hominids.
Proc.Natl.Acad.Sci.USA, 121, 2024
8FU4
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BU of 8fu4 by Molmil
HCMV US11 peptide binding to HLA-A*02:01
Descriptor: Beta-2-microglobulin, CADMIUM ION, GLYCEROL, ...
Authors:Watson, G.M, Berry, R, Littler, D.R, Rossjohn, J.
Deposit date:2023-01-16
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Diverse cytomegalovirus US11 antagonism and MHC-A evasion strategies reveal a tit-for-tat coevolutionary arms race in hominids.
Proc.Natl.Acad.Sci.USA, 121, 2024
6BV6
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BU of 6bv6 by Molmil
Structure of proteinaceous RNase P 1 (PRORP1) from A. thaliana after 3-hour soak with juglone
Descriptor: 5-hydroxynaphthalene-1,4-dione, Proteinaceous RNase P 1, chloroplastic/mitochondrial, ...
Authors:Karasik, A, Wu, N, Fierke, C.A, Koutmos, M.
Deposit date:2017-12-12
Release date:2019-06-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inhibition of protein-only RNase P with Gambogic acid and Juglone
To Be Published
6BV9
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BU of 6bv9 by Molmil
Structure of proteinaceous RNase P 1 (PRORP1) from A. thaliana after overnight soak with juglone
Descriptor: 5-hydroxynaphthalene-1,4-dione, CHLORIDE ION, Proteinaceous RNase P 1, ...
Authors:Karasik, A, Wu, N, Fierke, C.A, Koutmos, M.
Deposit date:2017-12-12
Release date:2019-06-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibition of protein-only RNase P with Gambogic acid and Juglone
To Be Published
6BV5
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BU of 6bv5 by Molmil
Structure of proteinaceous RNase P 1 (PRORP1) from A. thaliana after 45-minute soak with juglone
Descriptor: 5-hydroxynaphthalene-1,4-dione, CHLORIDE ION, MANGANESE (II) ION, ...
Authors:Karasik, A, Wu, N, Fierke, C.A, Koutmos, M.
Deposit date:2017-12-12
Release date:2019-06-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Inhibition of protein-only RNase P with Gambogic acid and Juglone
To Be Published
6BV8
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BU of 6bv8 by Molmil
Structure of proteinaceous RNase P 1 (PRORP1) from A. thaliana complexed with Mn after 3-hour soak with juglone
Descriptor: 5-hydroxynaphthalene-1,4-dione, CHLORIDE ION, MANGANESE (II) ION, ...
Authors:Karasik, A, Wu, N, Fierke, C.A, Koutmos, M.
Deposit date:2017-12-12
Release date:2019-06-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibition of protein-only RNase P with Gambogic acid and Juglone
To Be Published

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PDB entries from 2024-09-18

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