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1VRW
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BU of 1vrw by Molmil
Crystal structure analysis of plasmodium falciparum enoyl-acyl-carrier-protein reductase with nadh
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ENOYL-ACYL CARRIER REDUCTASE
Authors:Perozzo, R, Kuo, M, Sidhu, A.S, Valiyaveettil, J.T, Bittman, R, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C.
Deposit date:2005-06-30
Release date:2005-07-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Elucidation of the Specificity of the Antibacterial Agent Triclosan for Malarial Enoyl Acyl Carrier Protein Reductase
J.Biol.Chem., 277, 2002
1NHG
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BU of 1nhg by Molmil
CRYSTAL STRUCTURE ANALYSIS OF PLASMODIUM FALCIPARUM ENOYL-ACYL-CARRIER-PROTEIN REDUCTASE WITH TRICLOSAN
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN, enoyl-acyl carrier reductase
Authors:Perozzo, R, Kuo, M, Sidhu, A.S, Valiyaveettil, J.T, Bittman, R, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C.
Deposit date:2002-12-19
Release date:2003-02-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structural Elucidation of the Specificity of the Antibacterial Agent Triclosan for Malarial Enoyl Acyl Carrier Protein Reductase
J.Biol.Chem., 277, 2002
1NHW
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BU of 1nhw by Molmil
Crystal Structure Analysis of Plasmodium falciparum enoyl-acyl-carrier-protein reductase
Descriptor: 2-(2,4-DICHLORO-PHENYLAMINO)-PHENOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase
Authors:Perozzo, R, Kuo, M, Sidhu, A.S, Valiyaveettil, J.T, Bittman, R, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C.
Deposit date:2002-12-19
Release date:2003-02-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Elucidation of the Specificity of the Antibacterial Agent Triclosan for Malarial Enoyl Acyl Carrier Protein Reductase Year
J.Biol.Chem., 277, 2002
1NNU
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BU of 1nnu by Molmil
Crystal Structure Analysis of Plasmodium falciparum enoyl-acyl-carrier-protein reductase with Triclosan Analog
Descriptor: 6-(4-CHLORO-2-HYDROXY-PHENOXY)-NAPHTHALEN-2-OL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase
Authors:Perozzo, R, Kuo, M, Sidhu, A.S, Valiyaveettil, J.T, Bittman, R, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C.
Deposit date:2003-01-14
Release date:2003-02-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Elucidation of the Specificity of the Antibacterial Agent Triclosan for Malarial Enoyl Acyl Carrier Protein Reductase
J.Biol.Chem., 277, 2002
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
2XTB
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BU of 2xtb by Molmil
Crystal Structure of Trypanosoma brucei rhodesiense Adenosine Kinase Complexed with Activator
Descriptor: 4-[5-(4-PHENOXYPHENYL)-1H-PYRAZOL-3-YL]MORPHOLINE, ADENOSINE KINASE
Authors:Kuettel, S, Greenwald, J, Kostrewa, D, Ahmed, S, Scapozza, L, Perozzo, R.
Deposit date:2010-10-05
Release date:2011-06-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structures of T. B. Rhodesiense Adenosine Kinase Complexed with Inhibitor and Activator: Implications for Catalysis and Hyperactivation.
Plos Negl Trop Dis, 5, 2011
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
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
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
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
4IGE
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BU of 4ige by Molmil
Crystal structure of Plasmodium falciparum FabI complexed with NAD and inhibitor 7-(4-Chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one
Descriptor: 7-(4-chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one, Enoyl-acyl carrier reductase, GLYCEROL, ...
Authors:Kostrewa, D, Perozzo, R.
Deposit date:2012-12-17
Release date:2013-11-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Design, Synthesis, and Biological and Crystallographic Evaluation of Novel Inhibitors of Plasmodium falciparum Enoyl-ACP-reductase (PfFabI)
J.Med.Chem., 56, 2013
4IGF
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BU of 4igf by Molmil
Crystal structure of Plasmodium falciparum FabI complexed with NAD and inhibitor 3-(4-Chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one
Descriptor: 3-(4-chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one, Enoyl-acyl carrier reductase, GLYCEROL, ...
Authors:Kostrewa, D, Perozzo, R.
Deposit date:2012-12-17
Release date:2013-11-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design, Synthesis, and Biological and Crystallographic Evaluation of Novel Inhibitors of Plasmodium falciparum Enoyl-ACP-reductase (PfFabI)
J.Med.Chem., 56, 2013
1P45
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BU of 1p45 by Molmil
Targeting tuberculosis and malaria through inhibition of enoyl reductase: compound activity and structural data
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
Authors:Kuo, M.R, Morbidoni, H.R, Alland, D, Sneddon, S.F, Gourlie, B.B, Staveski, M.M, Leonard, M, Gregory, J.S, Janjigian, A.D, Yee, C, Musser, J.M, Kreiswirth, B.N, Iwamoto, H, Perozzo, R, Jacobs Jr, W.R, Sacchettini, J.C, Fidock, D.A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2003-04-21
Release date:2003-09-16
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Targeting tuberculosis and malaria through inhibition of Enoyl reductase: compound activity and structural data.
J.Biol.Chem., 278, 2003
1P44
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BU of 1p44 by Molmil
Targeting tuberculosis and malaria through inhibition of enoyl reductase: compound activity and structural data
Descriptor: 5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-1-YL]CARBONYL}-1H-INDOLE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Kuo, M.R, Morbidoni, H.R, Alland, D, Sneddon, S.F, Gourlie, B.B, Staveski, M.M, Leonard, M, Gregory, J.S, Janjigian, A.D, Yee, C, Musser, J.M, Kreiswirth, B, Iwamoto, H, Perozzo, R, Jacobs Jr, W.R, Sacchettini, J.C, Fidock, D.A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2003-04-21
Release date:2003-09-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Targeting tuberculosis and malaria through inhibition of Enoyl reductase: compound activity and structural data.
J.Biol.Chem., 278, 2003
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
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

 

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