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PDBsum entry 2jt5
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References listed in PDB file
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Key reference
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Title
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Matrix metalloproteinase-Inhibitor interaction: the solution structure of the catalytic domain of human matrix metalloproteinase-3 with different inhibitors.
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Authors
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L.A.Alcaraz,
L.Banci,
I.Bertini,
F.Cantini,
A.Donaire,
L.Gonnelli.
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Ref.
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J Biol Inorg Chem, 2007,
12,
1197-1206.
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PubMed id
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Abstract
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We structurally characterized the adducts of the catalytic domain of matrix
metalloproteinase-3 (MMP3) with three different nonpeptidic inhibitors by
solving the solution structure of one adduct
[MMP3-N-isobutyl-N-(4-methoxyphenylsulfonyl)glycyl hydroxamic acid] and then by
calculating structural models of the other two adducts using a reduced set of
experimental NMR data, following a recently proposed procedure (Bertini et al.
in J. Med. Chem. 48:7544-7559, 2005). The inhibitors were selected with the
criteria of maintaining in all of them the same zinc-coordinating moiety and of
selectively changing the substituents and/or the functional groups. The backbone
dynamics on various time scales have been characterized as well. The comparison
among these structures and with others previously reported allowed us to
elucidate fine details of inhibitor-receptor interactions and to develop some
criteria, which could guide in optimizing the design of selective inhibitors.
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