Author results

3NDX
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HIV-1 PROTEASE SAQUINAVIR:RITONAVIR 1:50 COMPLEX STRUCTURE
Descriptor:Protease, RITONAVIR, DIMETHYL SULFOXIDE, ...
Authors:Geremia, S., Olajuyigbe, F.M., Demitri, N.
Deposit date:2010-06-08
Release date:2011-07-20
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Investigation of 2-Fold Disorder of Inhibitors and Relative Potency by Crystallizations of HIV-1 Protease in Ritonavir and Saquinavir Mixtures
Cryst.Growth Des., 11, 2011
3TOH
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HIV-1 PROTEASE - EPOXYDIC INHIBITOR COMPLEX (PH 9 - ORTHOROMBIC CRYSTAL FORM P212121)
Descriptor:Gag-Pol polyprotein, (S)-N-((2S,3S,4R,5R)-4-amino-3,5-dihydroxy-1,6-diphenylhexan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide, DIMETHYL SULFOXIDE
Authors:Geremia, S., Olajuyigbe, F.M., Demitri, N.
Deposit date:2011-09-05
Release date:2012-08-15
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.116 Å)
Cite:Developing HIV-1 Protease Inhibitors through Stereospecific Reactions in Protein Crystals.
Molecules, 21, 2016
3NDW
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HIV-1 PROTEASE SAQUINAVIR:RITONAVIR 1:15 COMPLEX STRUCTURE
Descriptor:Protease, RITONAVIR, DIMETHYL SULFOXIDE, ...
Authors:Geremia, S., Olajuyigbe, F.M., Demitri, N.
Deposit date:2010-06-08
Release date:2011-07-20
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Investigation of 2-Fold Disorder of Inhibitors and Relative Potency by Crystallizations of HIV-1 Protease in Ritonavir and Saquinavir Mixtures
Cryst.Growth Des., 11, 2011
3TOG
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HIV-1 PROTEASE - EPOXYDIC INHIBITOR COMPLEX (PH 9 - MONOCLINIC CRYSTAL FORM P21)
Descriptor:Gag-Pol polyprotein, DIMETHYL SULFOXIDE, (S)-N-((2S,3S,4R,5R)-4-amino-3,5-dihydroxy-1,6-diphenylhexan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide
Authors:Geremia, S., Olajuyigbe, F.M., Demitri, N.
Deposit date:2011-09-05
Release date:2012-08-15
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Developing HIV-1 Protease Inhibitors through Stereospecific Reactions in Protein Crystals.
Molecules, 21, 2016
3NDU
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HIV-1 PROTEASE SAQUINAVIR:RITONAVIR 1:5 COMPLEX STRUCTURE
Descriptor:Protease, (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, DIMETHYL SULFOXIDE, ...
Authors:Geremia, S., Olajuyigbe, F.M., Demitri, N.
Deposit date:2010-06-08
Release date:2011-07-20
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Investigation of 2-Fold Disorder of Inhibitors and Relative Potency by Crystallizations of HIV-1 Protease in Ritonavir and Saquinavir Mixtures
Cryst.Growth Des., 11, 2011
2A1E
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HIGH RESOLUTION STRUCTURE OF HIV-1 PR WITH TS-126
Descriptor:Pol polyprotein, DIMETHYL SULFOXIDE, SODIUM ION, ...
Authors:Demitri, N., Geremia, S., Randaccio, L., Wuerges, J., Benedetti, F., Berti, F., Dinon, F., Campaner, P., Tell, G.
Deposit date:2005-06-20
Release date:2006-02-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A potent HIV protease inhibitor identified in an epimeric mixture by high-resolution protein crystallography.
Chemmedchem, 1, 2006
3K4V
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NEW CRYSTAL FORM OF HIV-1 PROTEASE/SAQUINAVIR STRUCTURE REVEALS CARBAMYLATION OF N-TERMINAL PROLINE
Descriptor:HIV-1 Protease, DIMETHYL SULFOXIDE, (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ...
Authors:Olajuyigbe, F.M., Demitri, N., Ajele, J.O., Maurizio, E., Randaccio, L., Geremia, S.
Deposit date:2009-10-06
Release date:2010-06-09
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Carbamylation of N-terminal proline.
ACS Med Chem Lett, 1, 2010
3TOF
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HIV-1 PROTEASE - EPOXYDIC INHIBITOR COMPLEX (PH 6 - ORTHOROMBIC CRYSTAL FORM P212121)
Descriptor:Gag-Pol polyprotein, (S)-N-((1R,2S)-1-((2R,3R)-3-benzyloxiran-2-yl)-1-hydroxy-3-phenylpropan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide, ACETATE ION, ...
Authors:Geremia, S., Olajuyigbe, F.M., Ajele, J.O., Demitri, N., Randaccio, L., Wuerges, J., Benedetti, L., Campaner, P., Berti, F.
Deposit date:2011-09-05
Release date:2012-08-15
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Developing HIV-1 Protease Inhibitors through Stereospecific Reactions in Protein Crystals.
Molecules, 21, 2016
6EGR
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CRYSTAL STRUCTURE OF CITROBACTER FREUNDII METHIONINE GAMMA-LYASE WITH V358Y REPLACEMENT
Descriptor:Methionine gamma-lyase, PYRIDOXAL-5'-PHOSPHATE, TRIETHYLENE GLYCOL, ...
Authors:Revtovich, S.V., Demitri, N., Raboni, S., Nikulin, A.D., Morozova, E.A., Demidkina, T.V., Storici, P., Mozzarelli, A.
Deposit date:2017-09-12
Release date:2018-10-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of Citrobacter freundii methionine gamma-lyase with V358Y replacement
To Be Published
6FRW
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X-RAY STRUCTURE OF THE LEVANSUCRASE FROM ERWINIA TASMANIENSIS
Descriptor:Levansucrase (Beta-D-fructofuranosyl transferase), GLYCEROL, ZINC ION
Authors:Polsinelli, I., Salomone-Stagni, M., Caliandro, R., Demitri, N., Benini, S.
Deposit date:2018-02-16
Release date:2019-02-06
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Comparison of the Levansucrase from the epiphyte Erwinia tasmaniensis vs its homologue from the phytopathogen Erwinia amylovora.
Int. J. Biol. Macromol., 127, 2019
3NDT
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HIV-1 PROTEASE SAQUINAVIR:RITONAVIR 1:1 COMPLEX STRUCTURE
Descriptor:Protease, (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, ...
Authors:Geremia, S., Olajuyigbe, F.M., Demitri, N.
Deposit date:2010-06-08
Release date:2011-07-20
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Investigation of 2-Fold Disorder of Inhibitors and Relative Potency by Crystallizations of HIV-1 Protease in Ritonavir and Saquinavir Mixtures
Cryst.Growth Des., 11, 2011
3O1Y
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ELECTRON TRANSFER COMPLEXES: EXPERIMENTAL MAPPING OF THE REDOX-DEPENDENT CYTOCHROME C ELECTROSTATIC SURFACE
Descriptor:Cytochrome c, HEME C, NITRATE ION
Authors:De March, M., De Zorzi, R., Demitri, N., Gabbiani, C., Guerri, A., Casini, A., Messori, L., Geremia, S.
Deposit date:2010-07-22
Release date:2012-01-25
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Nitrate as a probe of cytochrome c surface: crystallographic identification of crucial "hot spots" for protein-protein recognition.
J. Inorg. Biochem., 135, 2014
6HQZ
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CRYSTAL STRUCTURE OF THE TYPE III EFFECTOR PROTEIN AVRRPT2 FROM ERWINIA AMYLOVORA, A C70 FAMILY CYSTEINE PROTEASE
Descriptor:AvrRpt2
Authors:Bartho, J.D., Demitri, N., Wuerges, J., Benini, S.
Deposit date:2018-09-25
Release date:2019-04-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of Erwinia amylovora AvrRpt2 provides insight into protein maturation and induced resistance to fire blight by Malus × robusta 5.
J.Struct.Biol., 2019
3O20
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ELECTRON TRANSFER COMPLEXES:EXPERIMENTAL MAPPING OF THE REDOX-DEPENDENT CYTOCHROME C ELECTROSTATIC SURFACE
Descriptor:Cytochrome c, HEME C, NITRATE ION
Authors:De March, M., De Zorzi, R., Casini, A., Messori, L., Geremia, S., Demitri, N., Gabbiani, C., Guerri, A.
Deposit date:2010-07-22
Release date:2012-01-25
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Nitrate as a probe of cytochrome c surface: crystallographic identification of crucial "hot spots" for protein-protein recognition.
J. Inorg. Biochem., 135, 2014
5FR7
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ERWINIA AMYLOVORA AMYR AMYLOVORAN REPRESSOR, A MEMBER OF THE YBJN PROTEIN FAMILY
Descriptor:AMYR
Authors:Bartho, J.D., Bellini, D., Wuerges, J., Demitri, N., Walsh, M., Benini, S.
Deposit date:2015-12-16
Release date:2017-01-18
Last modified:2017-05-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The crystal structure of Erwinia amylovora AmyR, a member of the YbjN protein family, shows similarity to type III secretion chaperones but suggests different cellular functions.
PLoS ONE, 12, 2017
5O5C
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THE CRYSTAL STRUCTURE OF DFOJ, THE DESFERRIOXAMINE BIOSYNTHETIC PATHWAY LYSINE DECARBOXYLASE FROM THE FIRE BLIGHT DISEASE PATHOGEN ERWINIA AMYLOVORA
Descriptor:Putative decarboxylase involved in desferrioxamine biosynthesis, PYRIDOXAL-5'-PHOSPHATE
Authors:Salomone-Stagni, M., Bartho, J.D., Polsinelli, I., Bellini, D., Walsh, M.A., Demitri, N., Benini, S.
Deposit date:2017-06-01
Release date:2018-02-28
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A complete structural characterization of the desferrioxamine E biosynthetic pathway from the fire blight pathogen Erwinia amylovora.
J. Struct. Biol., 202, 2018
5O7O
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THE CRYSTAL STRUCTURE OF DFOC, THE DESFERRIOXAMINE BIOSYNTHETIC PATHWAY ACETYLTRANSFERASE/NON-RIBOSOMAL PEPTIDE SYNTHETASE (NRPS)-INDEPENDENT SIDEROPHORE (NIS) FROM THE FIRE BLIGHT DISEASE PATHOGEN ERWINIA AMYLOVORA
Descriptor:Desferrioxamine siderophore biosynthesis protein dfoC
Authors:Salomone-Stagni, M., Bartho, J.D., Polsinelli, I., Bellini, D., Walsh, M.A., Demitri, N., Benini, S.
Deposit date:2017-06-09
Release date:2018-02-28
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:A complete structural characterization of the desferrioxamine E biosynthetic pathway from the fire blight pathogen Erwinia amylovora.
J. Struct. Biol., 202, 2018
5FRK
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SEMET CRYSTAL STRUCTURE OF ERWINIA AMYLOVORA AMYR AMYLOVORAN REPRESSOR, A MEMBER OF THE YBJN PROTEIN FAMILY
Descriptor:AMYR
Authors:Bartho, J.D., Bellini, D., Wuerges, J., Demitri, N., Walsh, M., Benini, S.
Deposit date:2015-12-18
Release date:2017-02-15
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:The crystal structure of Erwinia amylovora AmyR, a member of the YbjN protein family, shows similarity to type III secretion chaperones but suggests different cellular functions.
PLoS ONE, 12, 2017
4R6Z
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CRYSTAL STRUCTURE OF CNG MIMICKING NAK MUTANT, NAK-ETPP, CS+ COMPLEX
Descriptor:Potassium channel protein, CESIUM ION, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:De March, M., Napolitano, L.M.R., Onesti, S.
Deposit date:2014-08-26
Release date:2015-07-01
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels.
Proc.Natl.Acad.Sci.USA, 112, 2015
4R7C
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CRYSTAL STRUCTURE OF CNG MIMICKING NAK-ETPP MUTANT COCRYSTALLIZED WITH DIMETHYLAMMONIUM
Descriptor:Potassium channel protein, GLYCINE, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:De March, M., Napolitano, L.M.R., Onesti, S.
Deposit date:2014-08-27
Release date:2015-07-01
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels.
Proc.Natl.Acad.Sci.USA, 112, 2015
4RAI
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CRYSTAL STRUCTURE OF CNG MIMICKING NAK-ETPP MUTANT IN COMPLEX WITH NA+
Descriptor:Potassium channel protein, SODIUM ION, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:De March, M., Napolitano, L.M.R., Onesti, S.
Deposit date:2014-09-10
Release date:2015-07-01
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels.
Proc.Natl.Acad.Sci.USA, 112, 2015
6H7H
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CRYSTAL STRUCTURE OF REDOX-SENSITIVE PHOSPHORIBULOKINASE (PRK) FROM ARABIDOPSIS THALIANA
Descriptor:Phosphoribulokinase, chloroplastic
Authors:Fermani, S., Sparla, F., Gurrieri, L., Falini, G., Trost, P.
Deposit date:2018-07-31
Release date:2019-04-10
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.471 Å)
Cite:ArabidopsisandChlamydomonasphosphoribulokinase crystal structures complete the redox structural proteome of the Calvin-Benson cycle.
Proc.Natl.Acad.Sci.USA, 116, 2019
4R8C
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CRYSTAL STRUCTURE OF CNG MIMICKING NAK-ETPP MUTANT IN COMPLEX WITH RB+
Descriptor:Potassium channel protein, RUBIDIUM ION, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:De March, M., Napolitano, L.M.R., Onesti, S.
Deposit date:2014-09-01
Release date:2015-07-01
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels.
Proc.Natl.Acad.Sci.USA, 112, 2015
6H7G
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CRYSTAL STRUCTURE OF REDOX-SENSITIVE PHOSPHORIBULOKINASE (PRK) FROM THE GREEN ALGAE CHLAMYDOMONAS REINHARDTII
Descriptor:Phosphoribulokinase, chloroplastic, SULFATE ION
Authors:Fermani, S., Sparla, F., Gurrieri, L., Demitri, N., Polentarutti, M., Falini, G., Trost, P., Lemaire, S.D.
Deposit date:2018-07-31
Release date:2019-04-10
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:ArabidopsisandChlamydomonasphosphoribulokinase crystal structures complete the redox structural proteome of the Calvin-Benson cycle.
Proc.Natl.Acad.Sci.USA, 116, 2019
4RO2
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CRYSTAL STRUCTURE OF CNG MIMICKING NAK-ETPP MUTANT COCRYSTALLIZED WITH METHYLAMMONIUM
Descriptor:Potassium channel protein, methylammonium ion, GLYCINE, ...
Authors:De March, M., Napolitano, L.M.R., Onesti, S.
Deposit date:2014-10-27
Release date:2015-07-01
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels.
Proc.Natl.Acad.Sci.USA, 112, 2015
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