Author results

4IJO
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UNRAVELING HIDDEN ALLOSTERIC REGULATORY SITES IN STRUCTURALLY HOMOLOGUES METALLOPROTEASES
Descriptor:Macrophage metalloelastase, ZINC ION, CALCIUM ION
Authors:Udi, Y., Fragai, M., Grossman, M., Mitternacht, S., Arad-Yellin, R., Calderone, V., Melikian, M., Toccafondi, M., Berezovsky, I.N., Luchinat, C., Sagi, I.
Deposit date:2012-12-22
Release date:2013-05-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unraveling hidden regulatory sites in structurally homologous metalloproteases
J.Mol.Biol., 425, 2013
1Y93
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN MMP12 COMPLEXED WITH ACETOHYDROXAMIC ACID AT ATOMIC RESOLUTION
Descriptor:Macrophage metalloelastase, ZINC ION, CALCIUM ION, ...
Authors:Bertini, I., Calderone, V., Cosenza, M., Fragai, M., Lee, Y.-M., Luchinat, C., Mangani, S., Terni, B., Turano, P.
Deposit date:2004-12-14
Release date:2005-04-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Conformational variability of matrix metalloproteinases: Beyond a single 3D structure
Proc.Natl.Acad.Sci.Usa, 102, 2005
2HU6
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CRYSTAL STRUCTURE OF HUMAN MMP-12 IN COMPLEX WITH ACETOHYDROXAMIC ACID AND A BICYCLIC INHIBITOR
Descriptor:Macrophage metalloelastase, ZINC ION, CALCIUM ION, ...
Authors:Mannino, C., Nievo, M., Machetti, F., Papakyriakou, A., Calderone, V., Fragai, M., Guarna, A.
Deposit date:2006-07-26
Release date:2006-12-19
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Synthesis of bicyclic molecular scaffolds (BTAa): an investigation towards new selective MMP-12 inhibitors.
Bioorg.Med.Chem., 14, 2006
2OXU
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UNINHIBITED FORM OF HUMAN MMP-12
Descriptor:Macrophage metalloelastase, ZINC ION, CALCIUM ION
Authors:Calderone, V., Bertini, I., Fragai, M., Luchinat, C., Maletta, M., Yeo, K.J.
Deposit date:2007-02-21
Release date:2007-03-06
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Snapshots of the reaction mechanism of matrix metalloproteinases.
ANGEW.CHEM.INT.ED.ENGL., 45, 2006
2OXW
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HUMAN MMP-12 COMPLEXED WITH THE PEPTIDE IAG
Descriptor:Macrophage metalloelastase, ILE-ALA-GLY peptide, ZINC ION, ...
Authors:Calderone, V., Bertini, I., Fragai, M., Luchinat, C., Maletta, M., Yeo, K.J.
Deposit date:2007-02-21
Release date:2007-03-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Snapshots of the reaction mechanism of matrix metalloproteinases.
ANGEW.CHEM.INT.ED.ENGL., 45, 2006
2OXZ
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HUMAN MMP-12 IN COMPLEX WITH TWO PEPTIDES PQG AND IAG
Descriptor:Macrophage metalloelastase, PRO-GLN-GLY peptide, ILE-ALA-GLY peptide, ...
Authors:Calderone, V., Bertini, I., Fragai, M., Luchinat, C., Maletta, M., Yeo, K.J.
Deposit date:2007-02-21
Release date:2007-03-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Snapshots of the reaction mechanism of matrix metalloproteinases.
ANGEW.CHEM.INT.ED.ENGL., 45, 2006
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
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
1RMZ
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN MMP12 COMPLEXED WITH THE INHIBITOR NNGH AT 1.3 A RESOLUTION
Descriptor:Macrophage metalloelastase, ZINC ION, CALCIUM ION, ...
Authors:Bertini, I., Calderone, V., Fragai, M., Luchinat, C., Mangani, S., Terni, B.
Deposit date:2003-11-28
Release date:2004-12-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Conformational variability of matrix metalloproteinases: beyond a single 3D structure.
Proc.Natl.Acad.Sci.Usa, 102, 2005
2LLP
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SOLUTION STRUCTURE OF A THP TYPE 1 ALPHA 1 COLLAGEN FRAGMENT (772-786)
Descriptor:Collagen alpha-1(I) chain
Authors:Bertini, I., Fragai, M., Luchinat, C., Melikian, M., Toccafondi, M., Lauer, J.L., Fields, G.B.
Deposit date:2011-11-15
Release date:2012-05-30
Method:SOLUTION NMR
Cite:Structural basis for matrix metalloproteinase 1-catalyzed collagenolysis.
J.Am.Chem.Soc., 134, 2012
2OY2
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HUMAN MMP-8 IN COMPLEX WITH PEPTIDE IAG
Descriptor:Neutrophil collagenase, ILE-ALA-GLY peptide, CALCIUM ION, ...
Authors:Calderone, V., Bertini, I., Fragai, M., Luchinat, C., Maletta, M., Yeo, K.J.
Deposit date:2007-02-21
Release date:2007-03-06
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Snapshots of the reaction mechanism of matrix metalloproteinases.
ANGEW.CHEM.INT.ED.ENGL., 45, 2006
2OY4
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UNINHIBITED HUMAN MMP-8
Descriptor:Neutrophil collagenase, CALCIUM ION, ZINC ION
Authors:Calderone, V., Bertini, I., Fragai, M., Luchinat, C., Maletta, M., Yeo, K.J.
Deposit date:2007-02-21
Release date:2007-03-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Snapshots of the reaction mechanism of matrix metalloproteinases.
ANGEW.CHEM.INT.ED.ENGL., 45, 2006
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
1OS2
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TERNARY ENZYME-PRODUCT-INHIBITOR COMPLEXES OF HUMAN MMP12
Descriptor:Macrophage metalloelastase, ZINC ION, CALCIUM ION, ...
Authors:Bertini, I., Calderone, V., Fragai, M., Luchinat, C., Mangani, S., Terni, B.
Deposit date:2003-03-18
Release date:2003-08-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:X-ray Structures of Binary and Ternary Enzyme-Product-Inhibitor Complexes of Matrix Metalloproteinases
Angew.Chem.Int.Ed.Engl., 42, 2003
1OS9
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BINARY ENZYME-PRODUCT COMPLEXES OF HUMAN MMP12
Descriptor:Macrophage metalloelastase, ZINC ION, CALCIUM ION
Authors:Bertini, I., Calderone, V., Fragai, M., Luchinat, C., Mangani, S., Terni, B.
Deposit date:2003-03-19
Release date:2003-08-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:X-ray Structures of Binary and Ternary Enzyme-Product-Inhibitor Complexes of Matrix Metalloproteinases
Angew.Chem.Int.Ed.Engl., 42, 2003
1YCM
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SOLUTION STRUCTURE OF MATRIX METALLOPROTEINASE 12 (MMP12) IN THE PRESENCE OF N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID (NNGH)
Descriptor:Macrophage metalloelastase, ZINC ION, CALCIUM ION, ...
Authors:Bertini, I., Calderone, V., Cosenza, M., Fragai, M., Lee, Y.M., Luchinat, C., Mangani, S., Terni, B., Turano, P., Structural Proteomics in Europe (SPINE)
Deposit date:2004-12-22
Release date:2005-04-19
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Conformational variability of matrix metalloproteinases: Beyond a single 3D structure.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1Z3J
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SOLUTION STRUCTURE OF MMP12 IN THE PRESENCE OF N-ISOBUTYL-N-4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID (NNGH)
Descriptor:Macrophage metalloelastase, ZINC ION, CALCIUM ION, ...
Authors:Bertini, I., Calderone, V., Cosenza, M., Fragai, M., Lee, Y.M., Luchinat, C., Mangani, S., Terni, B., Turano, P.
Deposit date:2005-03-13
Release date:2005-04-19
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Conformational variability of matrix metalloproteinases: Beyond a single 3D structure.
Proc.Natl.Acad.Sci.Usa, 102, 2005
2JXY
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SOLUTION STRUCTURE OF THE HEMOPEXIN-LIKE DOMAIN OF MMP12
Descriptor:Macrophage metalloelastase, CALCIUM ION
Authors:Bertini, I., Calderone, V., Fragai, M., Jaiswal, R., Luchinat, C., Melikian, M.
Deposit date:2007-12-01
Release date:2008-05-27
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Evidence of reciprocal reorientation of the catalytic and hemopexin-like domains of full-length MMP-12
J.Am.Chem.Soc., 130, 2008
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
3BA0
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CRYSTAL STRUCTURE OF FULL-LENGTH HUMAN MMP-12
Descriptor:Macrophage metalloelastase, ZINC ION, CALCIUM ION, ...
Authors:Bertini, I., Calderone, V., Fragai, M., Jaiswal, R., Luchinat, C., Melikian, M., Myonas, E., Svergun, D.I.
Deposit date:2007-11-07
Release date:2008-07-29
Last modified:2018-07-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Evidence of reciprocal reorientation of the catalytic and hemopexin-like domains of full-length MMP-12.
J.Am.Chem.Soc., 130, 2008
1Q3A
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN MATRIX METALLOPROTEINASE 10
Descriptor:Stromelysin-2, ZINC ION, CALCIUM ION, ...
Authors:Calderone, V., Bertini, I., Fragai, M., Luchinat, C., Mangani, S., Terni, B.
Deposit date:2003-07-29
Release date:2004-04-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the catalytic domain of human matrix metalloproteinase 10.
J.Mol.Biol., 336, 2004
2M0R
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SOLUTION STRUCTURE AND DYNAMICS OF HUMAN S100A14
Descriptor:Protein S100-A14
Authors:Bertini, I., Borsi, V., Cerofolini, L., Das Gupta, S., Fragai, M., Luchinat, C.
Deposit date:2012-11-05
Release date:2013-01-23
Last modified:2013-02-20
Method:SOLUTION NMR
Cite:Solution structure and dynamics of human S100A14.
J.Biol.Inorg.Chem., 18, 2013
3H60
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CATALYTIC DOMAIN OF HUMAN SERINE/THREONINE PHOSPHATASE 5 (PP5C)WITH TWO MN2+ ATOMS
Descriptor:Serine/threonine-protein phosphatase 5, MANGANESE (II) ION
Authors:Bertini, I., Calderone, V., Fragai, M., Luchinat, C., Talluri, E.
Deposit date:2009-04-23
Release date:2009-09-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin
J.Med.Chem., 52, 2009
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