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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
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
8ARJ
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BU of 8arj by Molmil
Anaplastic Lymphoma Kinase with a novel carboline inhibitor
Descriptor: 3-(dimethylamino)-1-[3-[4-(4-methylpiperazin-1-yl)phenyl]-9~{H}-pyrido[2,3-b]indol-6-yl]prop-2-en-1-one, ALK tyrosine kinase receptor
Authors:Mologni, L, Scapozza, L, Gambacorti-Passerini, C, Tardy, S, Goekjian, P, Robinson, C, Brown, D.
Deposit date:2022-08-17
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.645 Å)
Cite:Discovery of Novel alpha-Carboline Inhibitors of the Anaplastic Lymphoma Kinase.
Acs Omega, 7, 2022
1KKC
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BU of 1kkc by Molmil
Crystal structure of Aspergillus fumigatus MnSOD
Descriptor: MANGANESE (II) ION, Manganese Superoxide Dismutase
Authors:Fluckiger, S, Mittl, P.R.E, Scapozza, L, Fijten, H, Folkers, G, Grutter, M.G, Blaser, K, Crameri, R.
Deposit date:2001-12-07
Release date:2001-12-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Comparison of the crystal structures of the human manganese superoxide dismutase and the homologous Aspergillus fumigatus allergen at 2-A resolution.
J.Immunol., 168, 2002
1W4R
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BU of 1w4r by Molmil
Structure of a type II thymidine kinase with bound dTTP
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, THYMIDINE KINASE, THYMIDINE-5'-TRIPHOSPHATE, ...
Authors:Birringer, M.S, Claus, M.T, Folkers, G, Kloer, D.P, Schulz, G.E, Scapozza, L.
Deposit date:2004-07-27
Release date:2005-02-01
Last modified:2013-03-06
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structure of a Type II Thymidine Kinase with Bound Dttp
FEBS Lett., 579, 2005
2J23
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BU of 2j23 by Molmil
Cross-reactivity and crystal structure of Malassezia sympodialis Thioredoxin (Mala s 13), a member of a new pan-allergen family
Descriptor: THIOREDOXIN
Authors:Limacher, A, Glaser, A.G, Meier, C, Scapozza, L, Crameri, R.
Deposit date:2006-08-16
Release date:2006-11-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Cross-reactivity and 1.4-A crystal structure of Malassezia sympodialis thioredoxin (Mala s 13), a member of a new pan-allergen family.
J Immunol., 178, 2007
5N5C
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BU of 5n5c by Molmil
NMR solution structure of the TSL2 RNA hairpin
Descriptor: RNA (19-MER)
Authors:Garcia-Lopez, A, Wacker, A, Tessaro, F, Jonker, H.R.A, Richter, C, Comte, A, Berntenis, N, Schmucki, R, Hatje, K, Sciarra, D, Konieczny, P, Fournet, G, Faustino, I, Orozco, M, Artero, R, Goekjian, P, Metzger, F, Ebeling, M, Joseph, B, Schwalbe, H, Scapozza, L.
Deposit date:2017-02-13
Release date:2018-03-14
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Targeting RNA structure in SMN2 reverses spinal muscular atrophy molecular phenotypes.
Nat Commun, 9, 2018
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
1OF1
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BU of 1of1 by Molmil
KINETICS AND CRYSTAL STRUCTURE OF THE HERPES SIMPLEX VIRUS TYPE 1 THYMIDINE KINASE INTERACTING WITH (SOUTH)-METHANOCARBA-THYMIDINE
Descriptor: (SOUTH)-METHANOCARBA-THYMIDINE, SULFATE ION, THYMIDINE KINASE
Authors:Claus, M.T, Schelling, P, Folkers, G, Marquez, V.E, Scapozza, L, Schulz, G.E.
Deposit date:2003-04-03
Release date:2004-06-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Biochemical and Structural Characterization of (South)-Methanocarbathymidine that Specifically Inhibits Growth of Herpes Simplex Virus Type 1 Thymidine Kinase-Transduced Osteosarcoma Cells
J.Biol.Chem., 279, 2004
4MVF
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BU of 4mvf by Molmil
Crystal Structure of Plasmodium falciparum CDPK2 complexed with inhibitor staurosporine
Descriptor: CALCIUM ION, Calcium-dependent protein kinase 2, GLYCEROL, ...
Authors:Lauciello, L, Pernot, L, Scapozza, L, Perozzo, R.
Deposit date:2013-09-24
Release date:2014-09-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:P. falciparum Calcium-Dependent Protein Kinase 2 (PfCDPK2): First Crystal Structure and Virtual Ligand Screening
To be Published
1Z6B
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BU of 1z6b by Molmil
Crystal structure of Plasmodium falciparum FabZ at 2.1 A
Descriptor: CACODYLATE ION, CHLORIDE ION, SULFATE ION, ...
Authors:Kostrewa, D, Winkler, F.K, Folkers, G, Scapozza, L, Perozzo, R.
Deposit date:2005-03-22
Release date:2005-06-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The crystal structure of PfFabZ, the unique beta-hydroxyacyl-ACP dehydratase involved in fatty acid biosynthesis of Plasmodium falciparum
PROTEIN SCI., 14, 2005
2C3B
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BU of 2c3b by Molmil
The Crystal Structure of Aspergillus fumigatus Cyclophilin reveals 3D Domain Swapping of a Central Element
Descriptor: PPIASE, SULFATE ION
Authors:Limacher, A, Kloer, D.P, Fluckiger, S, Folkers, G, Crameri, R, Scapozza, L.
Deposit date:2005-10-05
Release date:2006-01-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Crystal Structure of Aspergillus Fumigatus Cyclophilin Reveals 3D Domain Swapping of a Central Element
Structure, 14, 2006
2CFE
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BU of 2cfe by Molmil
The 1.5 A crystal structure of the Malassezia sympodialis Mala s 6 allergen, a member of the cyclophilin pan-allergen family
Descriptor: ALANINE, ALLERGEN, GLYCEROL, ...
Authors:Limacher, A, Glaser, A.G, Fluckiger, S, Scheynius, A, Scapozza, L, Crameri, R.
Deposit date:2006-02-20
Release date:2006-02-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Analysis of the cross-reactivity and of the 1.5 A crystal structure of the Malassezia sympodialis Mala s 6 allergen, a member of the cyclophilin pan-allergen family.
Biochem. J., 396, 2006
3OEZ
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BU of 3oez by Molmil
crystal structure of the L317I mutant of the chicken c-Src tyrosine kinase domain complexed with imatinib
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, ACETATE ION, GLYCEROL, ...
Authors:Boubeva, R, Pernot, L, Perozzo, R, Scapozza, L.
Deposit date:2010-08-13
Release date:2011-08-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:a single amino-acid dictates the dynamics of the switch between active and inactive C-Src conformation
To be Published
3OF0
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BU of 3of0 by Molmil
crystal structure of the L317I mutant of the chicken c-Src tyrosine kinase domain
Descriptor: Proto-oncogene tyrosine-protein kinase Src
Authors:Boubeva, R, Pernot, L, Perozzo, R, Scapozza, L.
Deposit date:2010-08-13
Release date:2011-08-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:a single amino-acid dictates the dynamics of the switch between active and inactive C-Src conformation
To be Published
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
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
3QLG
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BU of 3qlg by Molmil
Crystal structure of the L317I mutant of the C-src tyrosine kinase domain complexed with dasatinib
Descriptor: N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Proto-oncogene tyrosine-protein kinase Src
Authors:Boubeva, R, Pernot, L, Perozzo, R, Scapozza, L.
Deposit date:2011-02-02
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A single amino-acid dictates the dynamics of the switch between active and inactive C-src conformation
To be Published
3QLF
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BU of 3qlf by Molmil
Crystal structure of the L317I mutant of the C-src tyrosine kinase domain complexed with pyrazolopyrimidine 5
Descriptor: 1-{4-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea, Proto-oncogene tyrosine-protein kinase Src
Authors:Boubeva, R, Pernot, L, Perozzo, R, Scapozza, L.
Deposit date:2011-02-02
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A single amino-acid dictates the dynamics of the switch between active and inactive C-src conformation
To be Published

 

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