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1CAN
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CRYSTALLOGRAPHIC STUDIES OF THE BINDING OF PROTONATED AND UNPROTONATED INHIBITORS TO CARBONIC ANHYDRASE USING HYDROGEN SULPHIDE AND NITRATE ANIONS
Descriptor:CARBONIC ANHYDRASE II, MERCURY (II) ION, NITRATE ION
Authors:Mangani, S., Hakansson, K.
Deposit date:1992-07-02
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic studies of the binding of protonated and unprotonated inhibitors to carbonic anhydrase using hydrogen sulphide and nitrate anions.
Eur.J.Biochem., 210, 1992
1CAO
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CRYSTALLOGRAPHIC STUDIES OF THE BINDING OF PROTONATED AND UNPROTONATED INHIBITORS TO CARBONIC ANHYDRASE USING HYDROGEN SULPHIDE AND NITRATE ANIONS
Descriptor:CARBONIC ANHYDRASE II, ZINC ION, HYDROSULFURIC ACID
Authors:Mangani, S., Hakansson, K.
Deposit date:1992-07-02
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic studies of the binding of protonated and unprotonated inhibitors to carbonic anhydrase using hydrogen sulphide and nitrate anions.
Eur.J.Biochem., 210, 1992
1CBX
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN CARBOXYPEPTIDASE A AND THE BIPRODUCT ANALOG INHIBITOR L-BENZYLSUCCINATE AT 2.0 ANGSTROMS RESOLUTION
Descriptor:CARBOXYPEPTIDASE A, ZINC ION, L-BENZYLSUCCINIC ACID
Authors:Mangani, S., Carloni, P., Orioli, P.
Deposit date:1991-10-31
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the complex between carboxypeptidase A and the biproduct analog inhibitor L-benzylsuccinate at 2.0 A resolution.
J.Mol.Biol., 223, 1992
1CRA
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THE COMPLEX BETWEEN HUMAN CARBONIC ANHYDRASE II AND THE AROMATIC INHIBITOR 1,2,4-TRIAZOLE
Descriptor:CARBONIC ANHYDRASE II, ZINC ION, MERCURY (II) ION, ...
Authors:Mangani, S., Liljas, A.
Deposit date:1992-10-21
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the complex between human carbonic anhydrase II and the aromatic inhibitor 1,2,4-triazole.
J.Mol.Biol., 232, 1993
4IED
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CRYSTAL STRUCTURE OF FUS-1 (OXA-85), A CLASS D BETA-LACTAMASE FROM FUSOBACTERIUM NUCLEATUM SUBSP. POLYMORPHUM
Descriptor:Class D beta-lactamase, MAGNESIUM ION, CHLORIDE ION, ...
Authors:Mangani, S., Benvenuti, M., Docquier, J.D.
Deposit date:2012-12-13
Release date:2014-01-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of FUS-1 (OXA-85), a Class D beta-lactamase from Fusobacterium nucleatum subsp. polymorphum
To be Published
3BNZ
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CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE TERNARY COMPLEX WITH DUMP AND 8A INHIBITOR
Descriptor:Thymidylate synthase, PHOSPHATE ION, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ...
Authors:Leone, R., Cancian, L., Luciani, R., Ferrari, S., Costi, M.P., Mangani, S.
Deposit date:2007-12-15
Release date:2008-12-16
Last modified:2013-07-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
3BYX
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LACTOBACILLUS CASEI THYMIDYLATE SYNTHASE TERNARY COMPLEX WITH DUMP AND THE PHTALIMIDIC DERIVATIVE C00 IN MULTIPLE BINDING MODES
Descriptor:Thymidylate synthase, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione
Authors:Leone, R., Mangani, S., Cancian, L., Costi, M.P., Luciani, R., Ferrari, S.
Deposit date:2008-01-16
Release date:2009-01-20
Last modified:2013-07-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
3BZ0
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LACTOBACILLUS CASEI THYMIDYLATE SYNTHASE TERNARY COMPLEX WITH DUMP AND THE PHTALIMIDIC DERIVATIVE C00
Descriptor:Thymidylate synthase, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione
Authors:Leone, R., Cancian, L., Costi, M.P., Ferrari, S., Luciani, R., Mangani, S.
Deposit date:2008-01-17
Release date:2009-01-20
Last modified:2013-07-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
3C06
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LACTOBACILLUS CASEI THYMIDYLATE SYNTHASE TERNARY COMPLEX WITH DUMP AND THE PHTALIMIDIC DERIVATIVE 14C IN MULTIPLE BINDING MODES-MODE 1
Descriptor:Thymidylate synthase, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(2-chloropyridin-4-yl)-4-methyl-1H-isoindole-1,3(2H)-dione
Authors:Leone, R., Mangani, S., Cancian, L., Costi, M.P., Luciani, R., Ferrari, S.
Deposit date:2008-01-18
Release date:2009-01-20
Last modified:2013-07-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
3C0A
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LACTOBACILLUS CASEI THYMIDYLATE SYNTHASE TERNARY COMPLEX WITH DUMP AND THE PHTALIMIDIC DERIVATIVE 14C IN MULTIPLE BINDING MODES-MODE 2
Descriptor:Thymidylate synthase, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(2-chloropyridin-4-yl)-4-methyl-1H-isoindole-1,3(2H)-dione
Authors:Leone, R., Mangani, S., Cancian, L., Costi, M.P., Luciani, R., Ferrari, S.
Deposit date:2008-01-19
Release date:2009-01-20
Last modified:2013-07-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
3IJZ
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LACTOBACILLUS CASEI THYMIDYLATE SYNTHASE TERNARY COMPLEX WITH DUMP AND PTHALIMIDIC DERIVATIVE 15C
Descriptor:Thymidylate synthase, 2-(4-acetylphenyl)-4-methyl-1H-isoindole-1,3(2H)-dione, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE
Authors:Pozzi, C., Cancian, L., Leone, R., Luciani, R., Ferrari, S., Mangani, S., Costi, M.P.
Deposit date:2009-08-05
Release date:2010-08-11
Last modified:2013-07-24
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
3IK0
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LACTOBACILLUS CASEI THYMIDYLATE SYNTHASE IN TERNARY COMPLEX WITH DUMP AND THE PHTALIMIDIC DERIVATIVE 7C1
Descriptor:Thymidylate synthase, 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzenecarboximidamide, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE
Authors:Pozzi, C., Cancian, L., Leone, R., Luciani, R., Ferrari, S., Mangani, S., Costi, M.P.
Deposit date:2009-08-05
Release date:2010-08-11
Last modified:2013-07-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
3IK1
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LACTOBACILLUS CASEI THYMIDYLATE SYNTHASE IN TERNARY COMPLEX WITH DUMP AND THE PHTALIMIDIC DERIVATIVE 20C
Descriptor:Thymidylate synthase, 2-hydroxy-4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE
Authors:Pozzi, C., Cancian, L., Leone, R., Luciani, R., Ferrari, S., Mangani, S., Costi, M.P.
Deposit date:2009-08-05
Release date:2010-08-11
Last modified:2013-07-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
4LRR
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TERNARY COMPLEX BETWEEN E. COLI THYMIDYLATE SYNTHASE, DUMP, AND F9
Descriptor:Thymidylate synthase, SULFATE ION, 2-oxo-2H-naphtho[1,8-bc]furan-6-yl 4-nitrobenzoate, ...
Authors:Mangani, S., Pozzi, C., Ferrari, S., Costi, M.P.
Deposit date:2013-07-20
Release date:2013-11-06
Last modified:2013-12-11
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:2'-Deoxyuridine 5'-Monophosphate Substrate Displacement in Thymidylate Synthase through 6-Hydroxy-2H-naphtho[1,8-bc]furan-2-one Derivatives.
J.Med.Chem., 56, 2013
4WCD
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TRYPANOSOMA BRUCEI PTR1 IN COMPLEX WITH INHIBITOR 10
Descriptor:Pteridine reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-(1H-benzotriazol-6-yl)-1,3,4-thiadiazol-2-amine, ...
Authors:Mangani, S., Di Pisa, F., Pozzi, C.
Deposit date:2014-09-04
Release date:2015-09-30
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
4WCF
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TRYPANOSOMA BRUCEI PTR1 IN COMPLEX WITH INHIBITOR 9
Descriptor:Pteridine reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3-(5-amino-1,3,4-thiadiazol-2-yl)pyridin-4-amine, ...
Authors:Mangani, S., Di Pisa, F., Pozzi, C.
Deposit date:2014-09-04
Release date:2015-09-23
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
5JDC
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TRYPANOSOMA BRUCEI PTR1 IN COMPLEX WITH INHIBITOR NP-13 (HESPERETIN)
Descriptor:Pteridine reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one, ...
Authors:Mangani, S., Pozzi, C., Di Pisa, F., Landi, G., Dello Iacono, L.
Deposit date:2016-04-16
Release date:2016-08-17
Last modified:2016-09-07
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
J.Med.Chem., 59, 2016
4O7U
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ETHEROCOMPLEX OF ENTEROCCOCUS FAECALIS THYMIDYLATE SYNTHASE WITH 5-HYDROXYMETHILENE-6-HYDROFOLIC ACID AND THE PHTALIMIDIC INHIBITOR SS7
Descriptor:Thymidylate synthase, SULFATE ION, 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID, ...
Authors:Mangani, S., Pozzi, C.
Deposit date:2013-12-26
Release date:2014-12-31
Last modified:2016-10-05
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray crystal structures of Enterococcus faecalis thymidylate synthase with folate binding site inhibitors.
Eur.J.Med.Chem., 123, 2016
5J7W
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ENTEROCOCCUS FAECALIS THYMIDYLATE SYNTHASE COMPLEX WITH METHOTREXATE
Descriptor:Thymidylate synthase, SULFATE ION, METHOTREXATE
Authors:Mangani, S., Pozzi, C.
Deposit date:2016-04-07
Release date:2016-09-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray crystal structures of Enterococcus faecalis thymidylate synthase with folate binding site inhibitors.
Eur.J.Med.Chem., 123, 2016
3HCM
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CRYSTAL STRUCTURE OF HUMAN S100B IN COMPLEX WITH S45
Descriptor:Protein S100-B, CALCIUM ION, (3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine, ...
Authors:Mangani, S., Cesari, L.
Deposit date:2009-05-06
Release date:2010-02-02
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragmenting the S100B-p53 Interaction: Combined Virtual/Biophysical Screening Approaches to Identify Ligands
Chemmedchem, 5, 2010
4LPJ
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ONE MINUTE IRON LOADED FROG M FERRITIN
Descriptor:Ferritin, middle subunit, FE (II) ION, ...
Authors:Mangani, S., Di Pisa, F., Pozzi, C., Turano, P., Lalli, D.
Deposit date:2013-07-16
Release date:2014-08-06
Last modified:2015-04-15
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
4LQH
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HIGH RESOLUTION STRUCTURE OF NATIVE FROG M FERRITIN
Descriptor:Ferritin, middle subunit, MAGNESIUM ION, ...
Authors:Mangani, S., Di Pisa, F., Pozzi, C., Turano, P., Lalli, D.
Deposit date:2013-07-18
Release date:2014-07-23
Last modified:2015-04-15
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
4LQJ
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TWO MINUTES IRON LOADED FROG M FERRITIN
Descriptor:Ferritin, middle subunit, FE (II) ION, ...
Authors:Mangani, S., Di Pisa, F., Pozzi, C., Turano, P., Lalli, D.
Deposit date:2013-07-18
Release date:2014-09-17
Last modified:2015-04-15
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
4LQV
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THRIRTY MINUTES IRON LOADED FROG M FERRITIN
Descriptor:Ferritin, middle subunit, FE (II) ION, ...
Authors:Mangani, S., Di Pisa, F., Pozzi, C., Turano, P., Lalli, D.
Deposit date:2013-07-19
Release date:2014-07-23
Last modified:2015-04-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
4LYU
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FIFTEEN MINUTES IRON LOADED FROG M FERRITIN
Descriptor:Ferritin, middle subunit, FE (II) ION, ...
Authors:Mangani, S., Di Pisa, F., Pozzi, C., Turano, P., Lalli, D.
Deposit date:2013-07-31
Release date:2014-08-06
Last modified:2015-04-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015