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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
3LK8
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BU of 3lk8 by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor paramethoxy-sulfonyl-glycine hydroxamate
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide, ...
Authors:Calderone, V.
Deposit date:2010-01-27
Release date:2010-10-06
Last modified:2023-09-06
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
6TI5
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BU of 6ti5 by Molmil
A New Structural Model of Abeta(1-40) Fibrils
Descriptor: Amyloid-beta precursor protein
Authors:Bertini, I, Gonnelli, L, Luchinat, C, Mao, J, Nesi, A.
Deposit date:2019-11-21
Release date:2020-07-22
Last modified:2023-06-14
Method:SOLID-STATE NMR
Cite:Mixing A beta (1-40) and A beta (1-42) peptides generates unique amyloid fibrils.
Chem.Commun.(Camb.), 56, 2020
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
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
3LKA
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BU of 3lka by Molmil
Catalytic domain of human MMP-12 complexed with hydroxamic acid and paramethoxy-sulfonyl amide
Descriptor: 4-methoxybenzenesulfonamide, ACETOHYDROXAMIC ACID, CALCIUM ION, ...
Authors:Calderone, V.
Deposit date:2010-01-27
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Entropic contribution to the linking coefficient in fragment based drug design: a case study.
J.Med.Chem., 53, 2010
4GQL
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BU of 4gql by Molmil
Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470.1
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-[(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alpha-glutamyl-L-alpha-glutamine, ...
Authors:Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V.
Deposit date:2012-08-23
Release date:2013-02-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies.
J.Med.Chem., 56, 2013
4GR3
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BU of 4gr3 by Molmil
Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470A
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-{(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-alpha-glutamyl-L-al pha-glutamine, ...
Authors:Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V.
Deposit date:2012-08-24
Release date:2013-02-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.494 Å)
Cite:Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies.
J.Med.Chem., 56, 2013
4GR8
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BU of 4gr8 by Molmil
Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470C
Descriptor: CALCIUM ION, IMIDAZOLE, Macrophage metalloelastase, ...
Authors:Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V.
Deposit date:2012-08-24
Release date:2013-02-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.299 Å)
Cite:Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies.
J.Med.Chem., 56, 2013
4GR0
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BU of 4gr0 by Molmil
Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470B
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-[(2S)-3-[(R)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-a lanyl-L-alaninamide, ...
Authors:Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V.
Deposit date:2012-08-24
Release date:2013-02-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.497 Å)
Cite:Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies.
J.Med.Chem., 56, 2013
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