1OS2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1os2 by Molmil](/molmil-images/mine/1os2) | Ternary enzyme-product-inhibitor complexes of human MMP12 | 分子名称: | ACETATE ION, ACETOHYDROXAMIC ACID, AZIDE ION, ... | 著者 | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Mangani, S, Terni, B. | 登録日 | 2003-03-18 | 公開日 | 2003-08-05 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.15 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
|
|
1OS9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
3NX7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
6TI7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ti7 by Molmil](/molmil-images/mine/6ti7) | Mixing Abeta(1-40) and Abeta(1-42) peptides generates unique amyloid fibrils | 分子名称: | Amyloid-beta precursor protein | 著者 | Cerofolini, L, Ravera, E, Bologna, S, Wiglenda, T, Boddrich, A, Purfurst, B, Benilova, A, Korsak, M, Gallo, G, Rizzo, D, Gonnelli, L, Fragai, M, De Strooper, B, Wanker, E.E, Luchinat, C. | 登録日 | 2019-11-21 | 公開日 | 2020-07-22 | 最終更新日 | 2024-06-19 | 実験手法 | SOLID-STATE NMR | 主引用文献 | Mixing A beta (1-40) and A beta (1-42) peptides generates unique amyloid fibrils. Chem.Commun.(Camb.), 56, 2020
|
|
6TI6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ti6 by Molmil](/molmil-images/mine/6ti6) | Mixing Abeta(1-40) and Abeta(1-42) peptides generates unique amyloid fibrils | 分子名称: | Amyloid-beta precursor protein | 著者 | Cerofolini, L, Ravera, E, Bologna, S, Wiglenda, T, Boddrich, A, Purfurst, B, Benilova, A, Korsak, M, Gallo, G, Rizzo, D, Gonnelli, L, Fragai, M, De Strooper, B, Wanker, E.E, Luchinat, C. | 登録日 | 2019-11-21 | 公開日 | 2020-07-22 | 最終更新日 | 2024-06-19 | 実験手法 | SOLID-STATE NMR | 主引用文献 | Mixing A beta (1-40) and A beta (1-42) peptides generates unique amyloid fibrils. Chem.Commun.(Camb.), 56, 2020
|
|
6RLY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rly by Molmil](/molmil-images/mine/6rly) | Human MMP12 (catalytic domain) in complex with AP316 | 分子名称: | 2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)-~{N}-[2-(4-phenylphenyl)ethyl]ethanamide, ACETOHYDROXAMIC ACID, CALCIUM ION, ... | 著者 | Calderone, V, Fragai, M, Luchinat, C. | 登録日 | 2019-05-03 | 公開日 | 2020-03-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Exploration of zinc-binding groups for the design of inhibitors for the oxytocinase subfamily of M1 aminopeptidases. Bioorg.Med.Chem., 27, 2019
|
|
6RD0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rd0 by Molmil](/molmil-images/mine/6rd0) | Human MMP12 catalytic domain in complex with AP280 | 分子名称: | ACETOHYDROXAMIC ACID, CALCIUM ION, Macrophage metalloelastase, ... | 著者 | Calderone, V, Fragai, M, Luchinat, C. | 登録日 | 2019-04-12 | 公開日 | 2020-02-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Exploration of zinc-binding groups for the design of inhibitors for the oxytocinase subfamily of M1 aminopeptidases. Bioorg.Med.Chem., 27, 2019
|
|
2OXU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2oxu by Molmil](/molmil-images/mine/2oxu) | Uninhibited form of human MMP-12 | 分子名称: | CALCIUM ION, Macrophage metalloelastase, ZINC ION | 著者 | Calderone, V, Bertini, I, Fragai, M, Luchinat, C, Maletta, M, Yeo, K.J. | 登録日 | 2007-02-21 | 公開日 | 2007-03-06 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Snapshots of the reaction mechanism of matrix metalloproteinases. ANGEW.CHEM.INT.ED.ENGL., 45, 2006
|
|
2OXZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2oxz by Molmil](/molmil-images/mine/2oxz) | Human MMP-12 in complex with two peptides PQG and IAG | 分子名称: | CALCIUM ION, ILE-ALA-GLY peptide, Macrophage metalloelastase, ... | 著者 | Calderone, V, Bertini, I, Fragai, M, Luchinat, C, Maletta, M, Yeo, K.J. | 登録日 | 2007-02-21 | 公開日 | 2007-03-06 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Snapshots of the reaction mechanism of matrix metalloproteinases. ANGEW.CHEM.INT.ED.ENGL., 45, 2006
|
|
2OXW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2oxw by Molmil](/molmil-images/mine/2oxw) | Human MMP-12 complexed with the peptide IAG | 分子名称: | CALCIUM ION, ILE-ALA-GLY peptide, Macrophage metalloelastase, ... | 著者 | Calderone, V, Bertini, I, Fragai, M, Luchinat, C, Maletta, M, Yeo, K.J. | 登録日 | 2007-02-21 | 公開日 | 2007-03-06 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Snapshots of the reaction mechanism of matrix metalloproteinases. ANGEW.CHEM.INT.ED.ENGL., 45, 2006
|
|
2LLP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2llp by Molmil](/molmil-images/mine/2llp) | Solution structure of a THP type 1 alpha 1 collagen fragment (772-786) | 分子名称: | Collagen alpha-1(I) chain | 著者 | Bertini, I, Fragai, M, Luchinat, C, Melikian, M, Toccafondi, M, Lauer, J.L, Fields, G.B, Structural Proteomics in Europe 2 (SPINE-2) | 登録日 | 2011-11-15 | 公開日 | 2012-05-30 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural basis for matrix metalloproteinase 1-catalyzed collagenolysis. J.Am.Chem.Soc., 134, 2012
|
|
2OY2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2oy2 by Molmil](/molmil-images/mine/2oy2) | Human MMP-8 in complex with peptide IAG | 分子名称: | CALCIUM ION, ILE-ALA-GLY peptide, Neutrophil collagenase, ... | 著者 | Calderone, V, Bertini, I, Fragai, M, Luchinat, C, Maletta, M, Yeo, K.J. | 登録日 | 2007-02-21 | 公開日 | 2007-03-06 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Snapshots of the reaction mechanism of matrix metalloproteinases. ANGEW.CHEM.INT.ED.ENGL., 45, 2006
|
|
2OY4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2oy4 by Molmil](/molmil-images/mine/2oy4) | Uninhibited human MMP-8 | 分子名称: | CALCIUM ION, Neutrophil collagenase, ZINC ION | 著者 | Calderone, V, Bertini, I, Fragai, M, Luchinat, C, Maletta, M, Yeo, K.J. | 登録日 | 2007-02-21 | 公開日 | 2007-03-06 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Snapshots of the reaction mechanism of matrix metalloproteinases. ANGEW.CHEM.INT.ED.ENGL., 45, 2006
|
|
3H61
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3h61 by Molmil](/molmil-images/mine/3h61) | Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Mn2+ atoms originally soaked with norcantharidin (which is present in the structure in the hydrolyzed form) | 分子名称: | (1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5 | 著者 | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | 登録日 | 2009-04-23 | 公開日 | 2009-09-29 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin J.Med.Chem., 52, 2009
|
|
2MKM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2mkm by Molmil](/molmil-images/mine/2mkm) | G-triplex structure and formation propensity | 分子名称: | DNA_(5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*G)-3') | 著者 | Cerofolini, L, Fragai, M, Giachetti, A, Limongelli, V, Luchinat, C, Novellino, E, Parrinello, M, Randazzo, A. | 登録日 | 2014-02-10 | 公開日 | 2014-11-19 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | G-triplex structure and formation propensity. Nucleic Acids Res., 42, 2014
|
|
2MKO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2mko by Molmil](/molmil-images/mine/2mko) | G-triplex structure and formation propensity | 分子名称: | DNA_(5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*G)-3'), POTASSIUM ION | 著者 | Cerofolini, L, Fragai, M, Giachetti, A, Limongelli, V, Luchinat, C, Novellino, E, Parrinello, M, Randazzo, A. | 登録日 | 2014-02-11 | 公開日 | 2014-11-19 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | G-triplex structure and formation propensity. Nucleic Acids Res., 42, 2014
|
|
3H67
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3h67 by Molmil](/molmil-images/mine/3h67) | Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c)with two Zn2+ atoms complexed with cantharidic acid | 分子名称: | (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, Serine/threonine-protein phosphatase 5, ZINC ION | 著者 | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | 登録日 | 2009-04-23 | 公開日 | 2009-09-29 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin J.Med.Chem., 52, 2009
|
|
3H63
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3h63 by Molmil](/molmil-images/mine/3h63) | Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Mn2+ atoms originally soaked with cantharidin (which is present in the structure in the hydrolyzed form) | 分子名称: | (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5 | 著者 | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | 登録日 | 2009-04-23 | 公開日 | 2009-09-29 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin J.Med.Chem., 52, 2009
|
|
3H62
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3h62 by Molmil](/molmil-images/mine/3h62) | Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Mn2+ atoms complexed with cantharidic acid | 分子名称: | (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5 | 著者 | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | 登録日 | 2009-04-23 | 公開日 | 2009-09-29 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin J.Med.Chem., 52, 2009
|
|
3H69
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3h69 by Molmil](/molmil-images/mine/3h69) | Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Zn2+ atoms complexed with endothall | 分子名称: | (1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, Serine/threonine-protein phosphatase 5, ZINC ION | 著者 | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | 登録日 | 2009-04-23 | 公開日 | 2009-09-29 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin J.Med.Chem., 52, 2009
|
|
3H64
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3h64 by Molmil](/molmil-images/mine/3h64) | Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Mn2+ atoms complexed with endothall | 分子名称: | (1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5 | 著者 | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | 登録日 | 2009-04-23 | 公開日 | 2009-09-29 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin J.Med.Chem., 52, 2009
|
|
3H68
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3h68 by Molmil](/molmil-images/mine/3h68) | Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c)with two Zn2+ atoms originally soaked with cantharidin (which is present in the structure in the hydrolyzed form) | 分子名称: | (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, Serine/threonine-protein phosphatase 5, ZINC ION | 著者 | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | 登録日 | 2009-04-23 | 公開日 | 2009-09-29 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin J.Med.Chem., 52, 2009
|
|
3H66
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3h66 by Molmil](/molmil-images/mine/3h66) | Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Zn2+ atoms | 分子名称: | Serine/threonine-protein phosphatase 5, ZINC ION | 著者 | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | 登録日 | 2009-04-23 | 公開日 | 2009-09-29 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin J.Med.Chem., 52, 2009
|
|
3H60
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3h60 by Molmil](/molmil-images/mine/3h60) | Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c)with two Mn2+ atoms | 分子名称: | MANGANESE (II) ION, Serine/threonine-protein phosphatase 5 | 著者 | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | 登録日 | 2009-04-23 | 公開日 | 2009-09-29 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin J.Med.Chem., 52, 2009
|
|
5CP9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cp9 by Molmil](/molmil-images/mine/5cp9) | The structure of the NK1 fragment of HGF/SF complexed with MB605 | 分子名称: | 1,2-ETHANEDIOL, 3-(furan-2-yl)propanoic acid, Hepatocyte growth factor | 著者 | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. | 登録日 | 2015-07-21 | 公開日 | 2015-08-12 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding. Chem Sci, 6, 2015
|
|