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2OXW
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BU of 2oxw by Molmil
Human MMP-12 complexed with the peptide IAG
Descriptor: CALCIUM ION, ILE-ALA-GLY peptide, Macrophage metalloelastase, ...
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:2023-08-30
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Snapshots of the reaction mechanism of matrix metalloproteinases.
ANGEW.CHEM.INT.ED.ENGL., 45, 2006
2OXU
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BU of 2oxu by Molmil
Uninhibited form of human MMP-12
Descriptor: CALCIUM ION, Macrophage metalloelastase, 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:2023-08-30
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Snapshots of the reaction mechanism of matrix metalloproteinases.
ANGEW.CHEM.INT.ED.ENGL., 45, 2006
5LAB
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BU of 5lab by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor NNGH
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ...
Authors:Ravera, E, Calderone, V, Luchinat, C.
Deposit date:2016-06-14
Release date:2016-08-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:First-principles calculation of pseudo-contact shifts in a paramagnetic metalloprotein
To Be Published
4P18
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BU of 4p18 by Molmil
Crystal Structure of frog M ferritin mutant D80K
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Ghini, V, Turano, P.
Deposit date:2014-02-25
Release date:2014-10-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Loop electrostatics modulates the intersubunit interactions in ferritin.
Acs Chem.Biol., 9, 2014
3EHX
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BU of 3ehx by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor (R)-2-(biphenyl-4-ylsulfonamido)-4-methylpentanoic acid
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-(biphenyl-4-ylsulfonyl)-D-leucine, ...
Authors:Calderone, V.
Deposit date:2008-09-15
Release date:2009-05-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Biotin-tagged probes for MMP expression and activation: design, synthesis, and binding properties
Bioconjug.Chem., 20, 2009
3EHY
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BU of 3ehy by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor (R)-2-(4-methoxyphenylsulfonamido)propanoic acid
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-[(4-methoxyphenyl)sulfonyl]-D-alanine, ...
Authors:Calderone, V.
Deposit date:2008-09-15
Release date:2009-05-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Biotin-tagged probes for MMP expression and activation: design, synthesis, and binding properties
Bioconjug.Chem., 20, 2009
3F1A
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BU of 3f1a by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-(2-nitroso-2-oxoethyl)benzenesulfonamide
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-oxo-2-(phenylsulfonylamino)ethanamide, ...
Authors:Calderone, V.
Deposit date:2008-10-27
Release date:2008-11-18
Last modified:2023-12-27
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
3F19
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BU of 3f19 by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor 4-fluoro-N-(2-nitroso-2-oxoethyl)benzenesulfonamide
Descriptor: 2-[(4-fluorophenyl)sulfonylamino]-N-oxo-ethanamide, CALCIUM ION, Macrophage metalloelastase, ...
Authors:Calderone, V.
Deposit date:2008-10-27
Release date:2008-11-18
Last modified:2023-12-27
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
3F16
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BU of 3f16 by Molmil
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: (2R)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-oxo-propanamide, CALCIUM ION, Macrophage metalloelastase, ...
Authors:Calderone, V.
Deposit date:2008-10-27
Release date:2008-11-18
Last modified:2023-12-27
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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BU of 3f17 by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-(2-nitroso-2-oxoethyl)biphenyl-4-sulfonamide
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-oxidanyl-2-[(4-phenylphenyl)sulfonylamino]ethanamide, ...
Authors:Calderone, V.
Deposit date:2008-10-27
Release date:2008-11-18
Last modified:2023-12-27
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
3F15
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BU of 3f15 by Molmil
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: 2-[[(2S)-2,3-dihydroxypropyl]-(4-methoxyphenyl)sulfonyl-amino]-N-oxo-ethanamide, CALCIUM ION, Macrophage metalloelastase, ...
Authors:Calderone, V.
Deposit date:2008-10-27
Release date:2008-11-18
Last modified:2023-12-27
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
3F18
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BU of 3f18 by Molmil
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: 2-[(4-fluorophenyl)sulfonyl-(2-hydroxyethyl)amino]-N-oxo-ethanamide, CALCIUM ION, Macrophage metalloelastase, ...
Authors:Calderone, V.
Deposit date:2008-10-27
Release date:2008-11-18
Last modified:2023-12-27
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
2GMN
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BU of 2gmn by Molmil
Crystal structure of BJP-1, a subclass B3 metallo-beta-lactamase of Bradyrhizobium japonicum
Descriptor: Metallo-beta-lactamase, ZINC ION
Authors:Calderone, V, Benvenuti, M, Stoczko, M, Docquier, J.D, Rossolini, G.M, Mangani, S.
Deposit date:2006-04-07
Release date:2007-04-24
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Postgenomic scan of metallo-beta-lactamase homologues in rhizobacteria: identification and characterization of BJP-1, a subclass B3 ortholog from Bradyrhizobium japonicum.
Antimicrob.Agents Chemother., 50, 2006

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