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1CAN
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BU of 1can by Molmil
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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BU of 1cao by Molmil
CRYSTALLOGRAPHIC STUDIES OF THE BINDING OF PROTONATED AND UNPROTONATED INHIBITORS TO CARBONIC ANHYDRASE USING HYDROGEN SULPHIDE AND NITRATE ANIONS
Descriptor: CARBONIC ANHYDRASE II, HYDROSULFURIC ACID, ZINC 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
1CBX
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BU of 1cbx by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN CARBOXYPEPTIDASE A AND THE BIPRODUCT ANALOG INHIBITOR L-BENZYLSUCCINATE AT 2.0 ANGSTROMS RESOLUTION
Descriptor: CARBOXYPEPTIDASE A, L-BENZYLSUCCINIC ACID, ZINC ION
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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BU of 1cra by Molmil
THE COMPLEX BETWEEN HUMAN CARBONIC ANHYDRASE II AND THE AROMATIC INHIBITOR 1,2,4-TRIAZOLE
Descriptor: 1,2,4-TRIAZOLE, CARBONIC ANHYDRASE II, 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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BU of 4ied by Molmil
Crystal Structure of FUS-1 (OXA-85), a Class D beta-lactamase from Fusobacterium nucleatum subsp. polymorphum
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Class D beta-lactamase, ...
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
4WCD
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BU of 4wcd by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor 10
Descriptor: 5-(1H-benzotriazol-6-yl)-1,3,4-thiadiazol-2-amine, ACETATE ION, GLYCEROL, ...
Authors:Mangani, S, Di Pisa, F, Pozzi, C.
Deposit date:2014-09-04
Release date:2015-09-30
Last modified:2024-01-10
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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BU of 4wcf by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor 9
Descriptor: 3-(5-amino-1,3,4-thiadiazol-2-yl)pyridin-4-amine, ACETATE ION, GLYCEROL, ...
Authors:Mangani, S, Di Pisa, F, Pozzi, C.
Deposit date:2014-09-04
Release date:2015-09-23
Last modified:2024-01-10
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
4WMC
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BU of 4wmc by Molmil
OXA-48 covalent complex with Avibactam inhibitor
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CARBON DIOXIDE
Authors:Mangani, S, Benvenuti, M, Docquier, J.D.
Deposit date:2014-10-08
Release date:2014-12-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular Basis of Selective Inhibition and Slow Reversibility of Avibactam against Class D Carbapenemases: A Structure-Guided Study of OXA-24 and OXA-48.
Acs Chem.Biol., 10, 2015
4WM9
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BU of 4wm9 by Molmil
Acinetobacter baumanii OXA-24 complex with Avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ...
Authors:Mangani, S, Benvenuti, M, Docquier, J.-D.
Deposit date:2014-10-08
Release date:2014-12-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular Basis of Selective Inhibition and Slow Reversibility of Avibactam against Class D Carbapenemases: A Structure-Guided Study of OXA-24 and OXA-48.
Acs Chem.Biol., 10, 2015
3IK1
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BU of 3ik1 by Molmil
Lactobacillus casei Thymidylate Synthase in Ternary Complex with dUMP and the Phtalimidic Derivative 20C
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-hydroxy-4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid, Thymidylate synthase
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:2023-11-01
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
3IJZ
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BU of 3ijz by Molmil
Lactobacillus casei Thymidylate Synthase ternary complex with dUMP and Pthalimidic derivative 15C
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(4-acetylphenyl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase
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:2023-11-01
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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BU of 3ik0 by Molmil
Lactobacillus casei Thymidylate Synthase in Ternary Complex with dUMP and the Phtalimidic Derivative 7C1
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzenecarboximidamide, Thymidylate synthase
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:2023-11-01
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
3C0A
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BU of 3c0a by Molmil
Lactobacillus CASEI Thymidylate Synthase Ternary Complex with DUMP and the Phtalimidic Derivative 14C in Multiple Binding Modes-Mode 2
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(2-chloropyridin-4-yl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase
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:2023-11-01
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
3BYX
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BU of 3byx by Molmil
Lactobacillus CASEI Thymidylate Synthase Ternary Complex with DUMP and the Phtalimidic Derivative C00 in Multiple Binding Modes
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase
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:2023-11-01
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
3BNZ
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BU of 3bnz by Molmil
Crystal structure of Thymidylate Synthase ternary complex with dUMP and 8A inhibitor
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile, PHOSPHATE ION, ...
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:2023-11-01
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
3C06
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BU of 3c06 by Molmil
Lactobacillus CASEI Thymidylate Synthase Ternary Complex With DUMP and the Phtalimidic Derivative 14C in Multiple Binding Modes-Mode 1
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(2-chloropyridin-4-yl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase
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:2023-11-01
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
3BZ0
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BU of 3bz0 by Molmil
Lactobacillus Casei Thymidylate Synthase Ternary Complex with DUMP and the Phtalimidic Derivative C00
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase
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:2023-11-01
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
5JDC
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BU of 5jdc by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor NP-13 (Hesperetin)
Descriptor: (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one, ACETATE ION, GLYCEROL, ...
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:2024-01-10
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
J.Med.Chem., 59, 2016
5J7W
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BU of 5j7w by Molmil
Enterococcus faecalis thymidylate synthase complex with methotrexate
Descriptor: METHOTREXATE, SULFATE ION, Thymidylate synthase
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
4LRR
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BU of 4lrr by Molmil
Ternary complex between E. coli thymidylate synthase, dUMP, and F9
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-oxo-2H-naphtho[1,8-bc]furan-6-yl 4-nitrobenzoate, SULFATE ION, ...
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
6I36
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BU of 6i36 by Molmil
SIXTY MINUTES IRON LOADED FROG M FERRITIN
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
Deposit date:2018-11-05
Release date:2018-12-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.59 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
4O7U
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BU of 4o7u by Molmil
Etherocomplex of Enteroccocus faecalis thymidylate synthase with 5-hydroxymethilene-6-hydrofolic acid and the phtalimidic inhibitor SS7
Descriptor: 1,2-ETHANEDIOL, 4-{[(2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]oxy}-3,5-dimethylphenyl acetate, 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID, ...
Authors:Mangani, S, Pozzi, C.
Deposit date:2013-12-26
Release date:2014-12-31
Last modified:2024-02-28
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
3HCM
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BU of 3hcm by Molmil
Crystal structure of human S100B in complex with S45
Descriptor: (3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine, ACETATE ION, CALCIUM ION, ...
Authors:Mangani, S, Cesari, L.
Deposit date:2009-05-06
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragmenting the S100B-p53 Interaction: Combined Virtual/Biophysical Screening Approaches to Identify Ligands
Chemmedchem, 5, 2010
4LQH
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BU of 4lqh by Molmil
High resolution structure of native frog M ferritin
Descriptor: CHLORIDE ION, Ferritin, middle subunit, ...
Authors:Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
Deposit date:2013-07-18
Release date:2014-07-23
Last modified:2023-09-20
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
4LQV
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BU of 4lqv by Molmil
Thrirty minutes iron loaded frog M ferritin
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
Deposit date:2013-07-19
Release date:2014-07-23
Last modified:2023-09-20
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

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