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2MKM
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G-TRIPLEX STRUCTURE AND FORMATION PROPENSITY
Descriptor:DNA_(5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*G)-3')
Authors:Cerofolini, L., Fragai, M., Giachetti, A., Limongelli, V., Luchinat, C., Novellino, E., Parrinello, M., Randazzo, A.
Deposit date:2014-02-10
Release date:2014-11-19
Last modified:2014-12-10
Method:SOLUTION NMR
Cite:G-triplex structure and formation propensity.
Nucleic Acids Res., 42, 2014
2MKO
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G-TRIPLEX STRUCTURE AND FORMATION PROPENSITY
Descriptor:DNA_(5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*G)-3'), POTASSIUM ION
Authors:Cerofolini, L., Fragai, M., Giachetti, A., Limongelli, V., Luchinat, C., Novellino, E., Parrinello, M., Randazzo, A.
Deposit date:2014-02-11
Release date:2014-11-19
Last modified:2014-12-10
Method:SOLUTION NMR
Cite:G-triplex structure and formation propensity.
Nucleic Acids Res., 42, 2014
2ORL
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SOLUTION STRUCTURE OF THE CYTOCHROME C- PARA-AMINOPHENOL ADDUCT
Descriptor:Cytochrome c iso-1, HEME C, 4-AMINOPHENOL
Authors:Assfalg, M., Bertini, I., Del Conte, R., Giachetti, A., Turano, P.
Deposit date:2007-02-03
Release date:2007-04-24
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Cytochrome c and organic molecules: solution structure of the p-aminophenol adduct.
Biochemistry, 46, 2007
3NX7
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN MMP12 COMPLEXED WITH THE INHIBITOR N-HYDROXY-2-(N-(2-HYDROXYETHYL)4-METHOXYPHENYLSULFONAMIDO)ACETAMIDE
Descriptor:Macrophage metalloelastase, ZINC ION, CALCIUM ION, ...
Authors:Bertini, I., Calderone, V., Fragai, M., Giachetti, A., Loconte, M., Luchinat, C., Maletta, M., Nativi, C., Yeo, K.J.
Deposit date:2010-07-13
Release date:2010-07-28
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases
J.Am.Chem.Soc., 129, 2007
2HV4
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NMR SOLUTION STRUCTURE REFINEMENT OF YEAST ISO-1-FERROCYTOCHROME C
Descriptor:Cytochrome c iso-1, HEME C
Authors:Assfalg, M., Bertini, I., Del Conte, R., Turano, P.
Deposit date:2006-07-27
Release date:2006-09-26
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Cytochrome c and organic molecules: solution structure of the p-aminophenol adduct.
Biochemistry, 46, 2007
3F15
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN MMP12 COMPLEXED WITH THE INHIBITOR (S)-N-(2,3-DIHYDROXYPROPYL)-4-METHOXY-N-(2-NITROSO-2-OXOETHYL)BENZENESULFONAMIDE
Descriptor:Macrophage metalloelastase, ZINC ION, CALCIUM ION, ...
Authors:Calderone, V.
Deposit date:2008-10-27
Release date:2008-11-18
Last modified:2018-07-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases.
J.Am.Chem.Soc., 129, 2007
3F16
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN MMP12 COMPLEXED WITH THE INHIBITOR (R)-N-(3-HYDROXY-1-NITROSO-1-OXOPROPAN-2-YL)-4-METHOXYBENZENESULFONAMIDE
Descriptor:Macrophage metalloelastase, ZINC ION, CALCIUM ION, ...
Authors:Calderone, V.
Deposit date:2008-10-27
Release date:2008-11-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases.
J.Am.Chem.Soc., 129, 2007
3F17
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN MMP12 COMPLEXED WITH THE INHIBITOR N-(2-NITROSO-2-OXOETHYL)BIPHENYL-4-SULFONAMIDE
Descriptor:Macrophage metalloelastase, ZINC ION, CALCIUM ION, ...
Authors:Calderone, V.
Deposit date:2008-10-27
Release date:2008-11-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases.
J.Am.Chem.Soc., 129, 2007
3F18
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN MMP12 COMPLEXED WITH THE INHIBITOR 4-FLUORO-N-(2-HYDROXYETHYL)-N-(2-NITROSO-2-OXOETHYL)BENZENESULFONAMIDE
Descriptor:Macrophage metalloelastase, ZINC ION, CALCIUM ION, ...
Authors:Calderone, V.
Deposit date:2008-10-27
Release date:2008-11-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases.
J.Am.Chem.Soc., 129, 2007
3F19
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN MMP12 COMPLEXED WITH THE INHIBITOR 4-FLUORO-N-(2-NITROSO-2-OXOETHYL)BENZENESULFONAMIDE
Descriptor:Macrophage metalloelastase, ZINC ION, CALCIUM ION, ...
Authors:Calderone, V.
Deposit date:2008-10-27
Release date:2008-11-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases.
J.Am.Chem.Soc., 129, 2007
3F1A
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN MMP12 COMPLEXED WITH THE INHIBITOR N-(2-NITROSO-2-OXOETHYL)BENZENESULFONAMIDE
Descriptor:Macrophage metalloelastase, ZINC ION, CALCIUM ION, ...
Authors:Calderone, V.
Deposit date:2008-10-27
Release date:2008-11-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases.
J.Am.Chem.Soc., 129, 2007
3LK8
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN MMP12 COMPLEXED WITH THE INHIBITOR PARAMETHOXY-SULFONYL-GLYCINE HYDROXAMATE
Descriptor:Macrophage metalloelastase, ZINC ION, CALCIUM ION, ...
Authors:Calderone, V.
Deposit date:2010-01-27
Release date:2010-10-06
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases
J.Am.Chem.Soc., 129, 2007
4H2D
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CRYSTAL STRUCTURE OF NDOR1
Descriptor:NADPH-dependent diflavin oxidoreductase 1, FLAVIN MONONUCLEOTIDE
Authors:Banci, L., Bertini, I., Calderone, V., Ciofi-Baffoni, S., Mikolajczyk, M., Jaiswal, D., Winkelmann, J.
Deposit date:2012-09-12
Release date:2013-04-17
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular view of an electron transfer process essential for iron-sulfur protein biogenesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4GUY
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HUMAN MMP12 CATALYTIC DOMAIN IN COMPLEX WITH*N*-HYDROXY-2-(2-(4-METHOXYPHENYL)ETHYLSULFONAMIDO)ACETAMIDE
Descriptor:Macrophage metalloelastase, ZINC ION, CALCIUM ION, ...
Authors:Calderone, V., Fragai, M., Luchinat, C., Massaro, A., Mordini, A., Mori, M.
Deposit date:2012-08-30
Release date:2012-09-19
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Contribution of free energy of solvation to ligand affinity in new potent MMPs inhibitors.
To be Published
3RTS
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HUMAN MMP-12 CATALYTIC DOMAIN IN COMPLEX WITH*N*-HYDROXY-2-(2-PHENYLETHYLSULFONAMIDO)ACETAMIDE
Descriptor:Macrophage metalloelastase, ZINC ION, CALCIUM ION, ...
Authors:Bertini, I., Calderone, V., Fragai, M., Luchinat, C., Mori, M., Nativi, C.
Deposit date:2011-05-04
Release date:2012-07-04
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Contribution of ligand free energy of solvation to design new potent MMPs inhibitors.
J.Med.Chem., 2012
3RTT
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HUMAN MMP-12 CATALYTIC DOMAIN IN COMPLEX WITH*(R)-N*-HYDROXY-1-(PHENETHYLSULFONYL)PYRROLIDINE-2-CARBOXAMIDE
Descriptor:Macrophage metalloelastase, ZINC ION, CALCIUM ION, ...
Authors:Bertini, I., Calderone, V., Fragai, M., Luchinat, C., Mori, M., Nativi, C.
Deposit date:2011-05-04
Release date:2012-07-04
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Contribution of ligand free energy of solvation to design new potent MMPs inhibitors.
J.Med.Chem., 2012
3N2U
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN MMP12 COMPLEXED WITH THE INHIBITOR N-HYDROXY-2-(4-METHOXY-N(2-(3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-YLOXY)ETHYL)PHENYLSULFONAMIDO)ACETAMIDE
Descriptor:Macrophage metalloelastase, ZINC ION, CALCIUM ION, ...
Authors:Calderone, V.
Deposit date:2010-05-19
Release date:2010-11-10
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structure-based approach to nanomolar, water soluble matrix metalloproteinases inhibitors (MMPIs).
Eur.J.Med.Chem., 45, 2010
3N2V
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN MMP12 COMPLEXED WITH THE INHIBITOR N-HYDROXY-2-(N-HYDROXYETHYL)BIPHENYL-4-YLSULFONAMIDO)ACETAMIDE
Descriptor:Macrophage metalloelastase, ZINC ION, CALCIUM ION, ...
Authors:Calderone, V.
Deposit date:2010-05-19
Release date:2010-11-10
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-based approach to nanomolar, water soluble matrix metalloproteinases inhibitors (MMPIs).
Eur.J.Med.Chem., 45, 2010