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1NHG
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CRYSTAL STRUCTURE ANALYSIS OF PLASMODIUM FALCIPARUM ENOYL-ACYL-CARRIER-PROTEIN REDUCTASE WITH TRICLOSAN
Descriptor:enoyl-acyl carrier reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
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:2011-07-13
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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CRYSTAL STRUCTURE ANALYSIS OF PLASMODIUM FALCIPARUM ENOYL-ACYL-CARRIER-PROTEIN REDUCTASE
Descriptor:enoyl-acyl carrier reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 2-(2,4-DICHLORO-PHENYLAMINO)-PHENOL
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:2011-07-13
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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CRYSTAL STRUCTURE ANALYSIS OF PLASMODIUM FALCIPARUM ENOYL-ACYL-CARRIER-PROTEIN REDUCTASE WITH TRICLOSAN ANALOG
Descriptor:enoyl-acyl carrier reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 6-(4-CHLORO-2-HYDROXY-PHENOXY)-NAPHTHALEN-2-OL
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:2011-07-13
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
1VRW
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CRYSTAL STRUCTURE ANALYSIS OF PLASMODIUM FALCIPARUM ENOYL-ACYL-CARRIER-PROTEIN REDUCTASE WITH NADH
Descriptor:ENOYL-ACYL CARRIER REDUCTASE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE
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:2018-04-04
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
3F0T
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CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE 1 IN COMPLEX WITH N-METHYL-DHBT
Descriptor:Thymidine kinase, SULFATE ION, N-Methyl-6-(1,3-dihydroxy-isobutyl)thymine
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:2013-10-02
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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CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE 1 IN COMPLEX WITH N-METHYL-FHBT
Descriptor:Thymidine kinase, SULFATE ION, 6-[(2R)-2-(fluoromethyl)-3-hydroxy-propyl]-1,5-dimethyl-pyrimidine-2,4-dione
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:2013-10-02
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
4IVP
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CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE 1 IN COMPLEX WITH IN51/20
Descriptor:Thymidine kinase, 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-5-methylpyrimidine-2,4(1H,3H)-dione, SULFATE ION
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:2013-10-02
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
4IVQ
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CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE 1 IN COMPLEX WITH IN43/5
Descriptor:Thymidine kinase, 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-4-methoxy-1,5-dimethylpyrimidin-2(1H)-one, SULFATE ION
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:2017-11-15
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
4IVR
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CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE 1 IN COMPLEX WITH IN52/10
Descriptor:Thymidine kinase, 2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methylidene]propane-1,3-diol, SULFATE ION
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:2017-11-15
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
4JBX
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CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE 1 IN COMPLEX WITH SK-78
Descriptor:Thymidine kinase, 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:2013-10-02
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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CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE 1 IN COMPLEX WITH F-SK78
Descriptor:Thymidine kinase, 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:2013-10-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer
To be Published
3OEZ
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CRYSTAL STRUCTURE OF THE L317I MUTANT OF THE CHICKEN C-SRC TYROSINE KINASE DOMAIN COMPLEXED WITH IMATINIB
Descriptor:Proto-oncogene tyrosine-protein kinase Src, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, ACETATE ION, ...
Authors:Boubeva, R., Pernot, L., Perozzo, R., Scapozza, L.
Deposit date:2010-08-13
Release date:2011-08-17
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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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
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
3QLF
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CRYSTAL STRUCTURE OF THE L317I MUTANT OF THE C-SRC TYROSINE KINASE DOMAIN COMPLEXED WITH PYRAZOLOPYRIMIDINE 5
Descriptor:Proto-oncogene tyrosine-protein kinase Src, 1-{4-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea
Authors:Boubeva, R., Pernot, L., Perozzo, R., Scapozza, L.
Deposit date:2011-02-02
Release date:2012-02-08
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
3QLG
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CRYSTAL STRUCTURE OF THE L317I MUTANT OF THE C-SRC TYROSINE KINASE DOMAIN COMPLEXED WITH DASATINIB
Descriptor:Proto-oncogene tyrosine-protein kinase Src, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE
Authors:Boubeva, R., Pernot, L., Perozzo, R., Scapozza, L.
Deposit date:2011-02-02
Release date:2012-02-08
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
4IGE
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CRYSTAL STRUCTURE OF PLASMODIUM FALCIPARUM FABI COMPLEXED WITH NAD AND INHIBITOR 7-(4-CHLORO-2-HYDROXYPHENOXY)-4-METHYL-2H-CHROMEN-2-ONE
Descriptor:Enoyl-acyl carrier reductase, 7-(4-chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Kostrewa, D., Perozzo, R.
Deposit date:2012-12-17
Release date:2013-11-06
Last modified:2017-11-15
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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CRYSTAL STRUCTURE OF PLASMODIUM FALCIPARUM FABI COMPLEXED WITH NAD AND INHIBITOR 3-(4-CHLORO-2-HYDROXYPHENOXY)-7-HYDROXY-2H-CHROMEN-2-ONE
Descriptor:Enoyl-acyl carrier reductase, 3-(4-chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Kostrewa, D., Perozzo, R.
Deposit date:2012-12-17
Release date:2013-11-06
Last modified:2017-11-15
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
1P44
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TARGETING TUBERCULOSIS AND MALARIA THROUGH INHIBITION OF ENOYL REDUCTASE: COMPOUND ACTIVITY AND STRUCTURAL DATA
Descriptor:Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-1-YL]CARBONYL}-1H-INDOLE
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:2011-07-13
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
1P45
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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:2011-07-13
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
1Z6B
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CRYSTAL STRUCTURE OF PLASMODIUM FALCIPARUM FABZ AT 2.1 A
Descriptor:fatty acid synthesis protein, CHLORIDE ION, CACODYLATE 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:2017-10-11
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
2XTB
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CRYSTAL STRUCTURE OF TRYPANOSOMA BRUCEI RHODESIENSE ADENOSINE KINASE COMPLEXED WITH ACTIVATOR
Descriptor:ADENOSINE KINASE, 4-[5-(4-PHENOXYPHENYL)-1H-PYRAZOL-3-YL]MORPHOLINE
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
3OTX
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CRYSTAL STRUCTURE OF TRYPANOSOMA BRUCEI RHODESIENSE ADENOSINE KINASE COMPLEXED WITH INHIBITOR AP5A
Descriptor:Adenosine kinase, putative, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ...
Authors:Kuettel, S., Greenwald, J., Kostrewa, D., Ahmed, S., Scapozza, L., Perozzo, R.
Deposit date:2010-09-14
Release date:2011-06-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 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
4MVF
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CRYSTAL STRUCTURE OF PLASMODIUM FALCIPARUM CDPK2 COMPLEXED WITH INHIBITOR STAUROSPORINE
Descriptor:Calcium-dependent protein kinase 2, STAUROSPORINE, CALCIUM ION, ...
Authors:Lauciello, L., Pernot, L., Scapozza, L., Perozzo, R.
Deposit date:2013-09-24
Release date:2014-09-03
Last modified:2017-11-15
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
4OQL
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CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE 1 IN COMPLEX WITH DF-EDU
Descriptor:Thymidine kinase, SULFATE ION, 2'-deoxy-5-ethynyl-2',2'-difluorouridine
Authors:Pernot, L., Neef, A.B., Westermaier, Y., Perozzo, R., Luedtke, N., Scapozza, L.
Deposit date:2014-02-10
Release date:2014-08-13
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
4OQM
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CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE 1 IN COMPLEX WITH F-ARA-EDU
Descriptor:Thymidine kinase, 1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione, SULFATE ION
Authors:Pernot, L., Neef, A.B., Westermaier, Y., Perozzo, R., Luedtke, N., Scapozza, L.
Deposit date:2014-02-10
Release date:2014-08-13
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
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