4GR3
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![BU of 4gr3 by Molmil](/molmil-images/mine/4gr3) | Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470A | 分子名称: | 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, ... | 著者 | Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V. | 登録日 | 2012-08-24 | 公開日 | 2013-02-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.494 Å) | 主引用文献 | Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies. J.Med.Chem., 56, 2013
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4GR0
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![BU of 4gr0 by Molmil](/molmil-images/mine/4gr0) | Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470B | 分子名称: | 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, ... | 著者 | Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V. | 登録日 | 2012-08-24 | 公開日 | 2013-02-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.497 Å) | 主引用文献 | Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies. J.Med.Chem., 56, 2013
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4H76
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![BU of 4h76 by Molmil](/molmil-images/mine/4h76) | Crystal structure of the catalytic domain of Human MMP12 in complex with a broad spectrum hydroxamate inhibitor | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A. | 登録日 | 2012-09-20 | 公開日 | 2013-04-24 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystallization of bi-functional ligand protein complexes. J.Struct.Biol., 182, 2013
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3N2V
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![BU of 3n2v by Molmil](/molmil-images/mine/3n2v) | |
3TS4
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![BU of 3ts4 by Molmil](/molmil-images/mine/3ts4) | Human MMP12 in complex with L-glutamate motif inhibitor | 分子名称: | CALCIUM ION, GLYCEROL, IMIDAZOLE, ... | 著者 | Stura, E.A, Dive, V, Devel, L, Czarny, B, Beau, F, Vera, L. | 登録日 | 2011-09-12 | 公開日 | 2012-06-20 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.587 Å) | 主引用文献 | Simple pseudo-dipeptides with a P2' glutamate: a novel inhibitor family of matrix metalloproteases and other metzincins. J.Biol.Chem., 287, 2012
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6ENM
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![BU of 6enm by Molmil](/molmil-images/mine/6enm) | Crystal structure of MMP12 in complex with hydroxamate inhibitor LP168. | 分子名称: | 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]-~{N}-oxidanyl-ethanamide, CALCIUM ION, Macrophage metalloelastase, ... | 著者 | Vera, L, Nuti, E, Rossello, A, Stura, E.A. | 登録日 | 2017-10-05 | 公開日 | 2018-05-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies. J. Med. Chem., 61, 2018
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4H84
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![BU of 4h84 by Molmil](/molmil-images/mine/4h84) | Crystal structure of the catalytic domain of Human MMP12 in complex with a selective carboxylate based inhibitor. | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Stura, E.A, Antoni, C, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A. | 登録日 | 2012-09-21 | 公開日 | 2013-04-24 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.592 Å) | 主引用文献 | Crystallization of bi-functional ligand protein complexes. J.Struct.Biol., 182, 2013
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4EFS
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![BU of 4efs by Molmil](/molmil-images/mine/4efs) | Human MMP12 in complex with L-glutamate motif inhibitor | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | 著者 | Stura, E.A, Dive, V, Devel, L, Czarny, B, Beau, F, Vera, L. | 登録日 | 2012-03-30 | 公開日 | 2012-06-20 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Simple pseudo-dipeptides with a P2' glutamate: a novel inhibitor family of matrix metalloproteases and other metzincins. J.Biol.Chem., 287, 2012
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4I03
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![BU of 4i03 by Molmil](/molmil-images/mine/4i03) | Human MMP12 in complex with a PEG-linked bifunctional L-glutamate motif inhibitor | 分子名称: | (4R,22R)-5,21-dioxo-4,22-bis({3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}amino)-10,13,16-trioxa-6,20-diazapentacosane-1,25-dioic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | 著者 | Stura, E.A, Vera, L, Devel, L, Cassar-Lajeunesse, E, Dive, V. | 登録日 | 2012-11-16 | 公開日 | 2013-04-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystallization of bi-functional ligand protein complexes. J.Struct.Biol., 182, 2013
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3F15
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![BU of 3f15 by Molmil](/molmil-images/mine/3f15) | |
2WO9
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![BU of 2wo9 by Molmil](/molmil-images/mine/2wo9) | MMP12 complex with a beta hydroxy carboxylic acid | 分子名称: | (3S)-5-(4'-ACETYLBIPHENYL-4-YL)-3-HYDROXYPENTANOIC ACID, CALCIUM ION, GLYCEROL, ... | 著者 | Holmes, I.P, Gaines, S, Watson, S.P, Lorthioir, O, Walker, A, Baddeley, S.J, Herbert, S, Egan, D, Convery, M.A, Singh, O.M.P, Gross, J.W, Strelow, J.M, Smith, R.H, Amour, A.J, Brown, D, Martin, S.L. | 登録日 | 2009-07-22 | 公開日 | 2009-09-08 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The Identification of Beta-Hydroxy Carboxylic Acids as Selective Mmp-12 Inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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5N5K
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3LIL
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![BU of 3lil by Molmil](/molmil-images/mine/3lil) | Human MMP12 in complex with non-zinc chelating inhibitor | 分子名称: | ACETOHYDROXAMIC ACID, CALCIUM ION, Macrophage metalloelastase, ... | 著者 | Stura, E.A, Dive, V, Devel, L, Czarny, B, Vera, L, Beau, F. | 登録日 | 2010-01-25 | 公開日 | 2010-09-01 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Insights from selective non-phosphinic inhibitors of MMP-12 tailored to fit with an S1' loop canonical conformation. J.Biol.Chem., 285, 2010
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3LIK
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![BU of 3lik by Molmil](/molmil-images/mine/3lik) | Human MMP12 in complex with non-zinc chelating inhibitor | 分子名称: | ACETOHYDROXAMIC ACID, CALCIUM ION, HEXAETHYLENE GLYCOL, ... | 著者 | Stura, E.A, Dive, V, Devel, L, Czarny, B, Vera, L, Beau, F. | 登録日 | 2010-01-25 | 公開日 | 2010-09-01 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Insights from selective non-phosphinic inhibitors of MMP-12 tailored to fit with an S1' loop canonical conformation. J.Biol.Chem., 285, 2010
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3LK8
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![BU of 3lk8 by Molmil](/molmil-images/mine/3lk8) | |
5L7F
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![BU of 5l7f by Molmil](/molmil-images/mine/5l7f) | Crystal structure of MMP12 mutant K421A in complex with RXP470.1 conjugated with fluorophore Cy5,5 in space group P21. | 分子名称: | 1,2-ETHANEDIOL, BROMIDE ION, CALCIUM ION, ... | 著者 | Tepshi, L, Bordenave, T, Rouanet-Mehouas, C, Devel, L, Dive, V, Stura, E.A. | 登録日 | 2016-06-03 | 公開日 | 2016-09-14 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Synthesis and in Vitro and in Vivo Evaluation of MMP-12 Selective Optical Probes. Bioconjug.Chem., 27, 2016
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5N5J
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3LKA
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![BU of 3lka by Molmil](/molmil-images/mine/3lka) | |
3NX7
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![BU of 3nx7 by Molmil](/molmil-images/mine/3nx7) | Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-Hydroxy-2-(N-(2-hydroxyethyl)4-methoxyphenylsulfonamido)acetamide | 分子名称: | CALCIUM ION, Macrophage metalloelastase, N-hydroxy-N~2~-(2-hydroxyethyl)-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide, ... | 著者 | Bertini, I, Calderone, V, Fragai, M, Giachetti, A, Loconte, M, Luchinat, C, Maletta, M, Nativi, C, Yeo, K.J. | 登録日 | 2010-07-13 | 公開日 | 2010-07-28 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases J.Am.Chem.Soc., 129, 2007
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3N2U
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![BU of 3n2u by Molmil](/molmil-images/mine/3n2u) | 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 | 分子名称: | CALCIUM ION, Macrophage metalloelastase, N-hydroxy-2-{[(4-methoxyphenyl)sulfonyl](2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}ethyl)amino}acetamide, ... | 著者 | Calderone, V. | 登録日 | 2010-05-19 | 公開日 | 2010-11-10 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Structure-based approach to nanomolar, water soluble matrix metalloproteinases inhibitors (MMPIs). Eur.J.Med.Chem., 45, 2010
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3RTS
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![BU of 3rts by Molmil](/molmil-images/mine/3rts) | Human MMP-12 catalytic domain in complex with*N*-Hydroxy-2-(2-phenylethylsulfonamido)acetamide | 分子名称: | CALCIUM ION, Macrophage metalloelastase, N-hydroxy-N~2~-[(2-phenylethyl)sulfonyl]glycinamide, ... | 著者 | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Mori, M, Nativi, C. | 登録日 | 2011-05-04 | 公開日 | 2012-07-04 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Contribution of ligand free energy of solvation to design new potent MMPs inhibitors. J.Med.Chem., 2012
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3RTT
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![BU of 3rtt by Molmil](/molmil-images/mine/3rtt) | Human MMP-12 catalytic domain in complex with*(R)-N*-Hydroxy-1-(phenethylsulfonyl)pyrrolidine-2-carboxamide | 分子名称: | CALCIUM ION, Macrophage metalloelastase, N-hydroxy-1-[(2-phenylethyl)sulfonyl]-D-prolinamide, ... | 著者 | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Mori, M, Nativi, C. | 登録日 | 2011-05-04 | 公開日 | 2012-07-04 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Contribution of ligand free energy of solvation to design new potent MMPs inhibitors. J.Med.Chem., 2012
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8B2N
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![BU of 8b2n by Molmil](/molmil-images/mine/8b2n) | Potempin A (PotA) from Tannerella forsythia in complex with the catalytic domain of human MMP-12 | 分子名称: | CALCIUM ION, Macrophage metalloelastase, Tannerella forsythia potempin A (PotA), ... | 著者 | Potempa, J, Ksiazek, M, Goulas, T, Cuppari, A, Rodriguez-Banqueri, A, Arolas, J.L, Lopez-Pelegrin, M, Garcia-Ferrer, I, Guevara, T. | 登録日 | 2022-09-14 | 公開日 | 2022-12-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia. Chem Sci, 14, 2023
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1OS9
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![BU of 1os9 by Molmil](/molmil-images/mine/1os9) | Binary enzyme-product complexes of human MMP12 | 分子名称: | CALCIUM ION, Macrophage metalloelastase, ZINC ION | 著者 | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Mangani, S, Terni, B. | 登録日 | 2003-03-19 | 公開日 | 2003-08-05 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | X-ray Structures of Binary and Ternary Enzyme-Product-Inhibitor Complexes of Matrix Metalloproteinases Angew.Chem.Int.Ed.Engl., 42, 2003
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3LIR
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![BU of 3lir by Molmil](/molmil-images/mine/3lir) | Human MMP12 in complex with non-zinc chelating inhibitor | 分子名称: | CALCIUM ION, GLYCINE, Macrophage metalloelastase, ... | 著者 | Stura, E.A, Dive, V, Devel, L, Czarny, B, Vera, L, Beau, F. | 登録日 | 2010-01-25 | 公開日 | 2010-09-01 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Insights from selective non-phosphinic inhibitors of MMP-12 tailored to fit with an S1' loop canonical conformation. J.Biol.Chem., 285, 2010
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