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3F0T
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BU of 3f0t by Molmil
Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with N-methyl-DHBT
Descriptor: N-Methyl-6-(1,3-dihydroxy-isobutyl)thymine, SULFATE ION, Thymidine kinase
Authors:Pernot, L, Perozzo, R, Westermaier, Y, Martic, M, Ametamey, S, Scapozza, L.
Deposit date:2008-10-26
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synthesis, crystal structure, and in vitro biological evaluation of C-6 pyrimidine derivatives: new lead structures for monitoring gene expression in vivo.
Nucleosides Nucleotides Nucleic Acids, 30, 2011
3RDP
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BU of 3rdp by Molmil
Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with N-METHYL-FHBT
Descriptor: 6-[(2R)-2-(fluoromethyl)-3-hydroxy-propyl]-1,5-dimethyl-pyrimidine-2,4-dione, SULFATE ION, Thymidine kinase
Authors:Pernot, L, Perozzo, R, Westermaier, Y, Martic, M, Ametamey, S, Scapozza, L.
Deposit date:2011-04-01
Release date:2011-08-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Synthesis, crystal structure, and in vitro biological evaluation of C-6 pyrimidine derivatives: new lead structures for monitoring gene expression in vivo.
Nucleosides Nucleotides Nucleic Acids, 30, 2011
4OQM
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BU of 4oqm by Molmil
Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with F-ARA-EdU
Descriptor: 1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, Thymidine kinase
Authors:Pernot, L, Neef, A.B, Westermaier, Y, Perozzo, R, Luedtke, N, Scapozza, L.
Deposit date:2014-02-10
Release date:2014-08-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with F-ARA-EdU
To be Published
4OQL
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BU of 4oql by Molmil
Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with dF-EdU
Descriptor: 2'-deoxy-5-ethynyl-2',2'-difluorouridine, SULFATE ION, Thymidine kinase
Authors:Pernot, L, Neef, A.B, Westermaier, Y, Perozzo, R, Luedtke, N, Scapozza, L.
Deposit date:2014-02-10
Release date:2014-08-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with dF-EdU
To be Published
4OQN
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BU of 4oqn by Molmil
Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with EdU
Descriptor: 2'-deoxy-5-ethynyluridine, SULFATE ION, Thymidine kinase
Authors:Pernot, L, Neef, A.B, Westermaier, Y, Perozzo, R, Luedtke, N.W, Scapozza, L.
Deposit date:2014-02-10
Release date:2014-08-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with EdU
To be Published
4IVR
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BU of 4ivr by Molmil
Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with IN52/10
Descriptor: 2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methylidene]propane-1,3-diol, SULFATE ION, Thymidine kinase
Authors:Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L.
Deposit date:2013-01-23
Release date:2013-02-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer
To be Published
4IVQ
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BU of 4ivq by Molmil
Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with IN43/5
Descriptor: 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-4-methoxy-1,5-dimethylpyrimidin-2(1H)-one, SULFATE ION, Thymidine kinase
Authors:Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L.
Deposit date:2013-01-23
Release date:2013-02-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer
To be Published
4IVP
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BU of 4ivp by Molmil
Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with IN51/20
Descriptor: 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-5-methylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, Thymidine kinase
Authors:Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L.
Deposit date:2013-01-23
Release date:2013-02-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer
To be Published
4JBX
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BU of 4jbx by Molmil
Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with SK-78
Descriptor: 1,2-ETHANEDIOL, 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, ...
Authors:Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L.
Deposit date:2013-02-20
Release date:2013-03-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer
To be Published
4JBY
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BU of 4jby by Molmil
Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with F-SK78
Descriptor: 1,2-ETHANEDIOL, 6-[(1Z)-3-fluoro-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, ...
Authors:Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L.
Deposit date:2013-02-20
Release date:2013-03-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer
To be Published
8P0F
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BU of 8p0f by Molmil
Crystal structure of the VCB complex with compound 1.
Descriptor: (3~{R},5~{R})-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-5-oxidanyl-2-oxidanylidene-1-pyridin-2-yl-piperidine-3-carboxamide, CHLORIDE ION, Elongin-B, ...
Authors:Bader, G, Boettcher, J, Wolkerstorfer, B.
Deposit date:2023-05-10
Release date:2023-05-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Drugit: Crowd-sourcing molecular design of non-peptidic VHL binders
Chemrxiv, 2023
4OQX
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BU of 4oqx by Molmil
Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with Me-ARA-EdU
Descriptor: 1-(2-deoxy-2-methyl-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, Thymidine kinase
Authors:Pernot, L, Neef, A.B, Westermaier, Y, Perozzo, R, Luedtke, N, Scapozza, L.
Deposit date:2014-02-10
Release date:2014-08-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of HSV1-TK complexed with Me-ARA-EdU
To be Published

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