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
|
|
1N9A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1n9a by Molmil](/molmil-images/mine/1n9a) | Farnesyltransferase complex with tetrahydropyridine inhibitors | 分子名称: | 1-{2-[3-(4-CYANO-BENZYL)-3H-IMIDAZOL-4-YL]-ACETYL}-5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE, ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID, Protein farnesyltransferase alpha subunit, ... | 著者 | Gwaltney II, S.L, O'Conner, S.J, Nelson, L.T, Sullivan, G.M, Imade, H, Wang, W, Hasvold, L, Li, Q, Cohen, J, Gu, W.Z. | 登録日 | 2002-11-22 | 公開日 | 2003-01-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Aryl tetrahydropyridine inhibitors of farnesyltransferase: bioavailable analogues with improved cellular potency. Bioorg.Med.Chem.Lett., 13, 2003
|
|
4GR0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
1N94
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1n94 by Molmil](/molmil-images/mine/1n94) | Aryl Tetrahydropyridine Inhbitors of Farnesyltransferase: Glycine, Phenylalanine and Histidine Derivates | 分子名称: | 2-{(5-{[BUTYL-(2-CYCLOHEXYL-ETHYL)-AMINO]-METHYL}-2'-METHYL-BIPHENYL-2-CARBONYL)-AMINO]-4-METHYLSULFANYL-BUTYRIC ACID, ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID, Protein farnesyltransferase alpha subunit, ... | 著者 | Gwaltney II, S.L, O'Connor, S.J, Nelson, L.T, Sullivan, G.M, Imade, H, Wang, W, Hasvold, L, Li, Q, Cohen, J, Gu, W.Z. | 登録日 | 2002-11-22 | 公開日 | 2003-01-07 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Aryl tetrahydropyridine inhibitors of farnesyltransferase: glycine, phenylalanine and histidine derivatives. Bioorg.Med.Chem.Lett., 13, 2003
|
|
4GR8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gr8 by Molmil](/molmil-images/mine/4gr8) | Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470C | 分子名称: | CALCIUM ION, IMIDAZOLE, Macrophage metalloelastase, ... | 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 (1.299 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
|
|
6GYI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gyi by Molmil](/molmil-images/mine/6gyi) | |
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
|
|
4GQL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gql by Molmil](/molmil-images/mine/4gql) | Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470.1 | 分子名称: | 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, ... | 著者 | Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V. | 登録日 | 2012-08-23 | 公開日 | 2013-02-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.15 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
|
|
4GR3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5UWC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uwc by Molmil](/molmil-images/mine/5uwc) | Cytokine-receptor complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, ... | 著者 | Broughton, S.E, Parker, M.W. | 登録日 | 2017-02-21 | 公開日 | 2018-02-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | A dual role for the N-terminal domain of the IL-3 receptor in cell signalling. Nat Commun, 9, 2018
|
|
5UV8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uv8 by Molmil](/molmil-images/mine/5uv8) | Interleukin-3 Receptor Complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Interleukin-3, ... | 著者 | Broughton, S.E, Parker, M.W. | 登録日 | 2017-02-19 | 公開日 | 2018-02-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | A dual role for the N-terminal domain of the IL-3 receptor in cell signalling. Nat Commun, 9, 2018
|
|
2R8K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r8k by Molmil](/molmil-images/mine/2r8k) | Structure of the Eukaryotic DNA Polymerase eta in complex with 1,2-d(GpG)-cisplatin containing DNA | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-D(*DGP*DTP*DGP*DGP*DTP*DGP*DAP*DGP*DC)-3', 5'-D(P*DGP*DGP*DCP*DTP*DCP*DAP*DCP*DCP*DAP*DC)-3', ... | 著者 | Carell, T, Alt, A, Lammens, K. | 登録日 | 2007-09-11 | 公開日 | 2007-12-11 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Bypass of DNA lesions generated during anticancer treatment with cisplatin by DNA polymerase eta Science, 318, 2007
|
|
5X6N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5x6n by Molmil](/molmil-images/mine/5x6n) | Structure of P. Knowlesi DBL Domain Capable of binding Human Duffy Antigen | 分子名称: | Duffy binding protein, SULFATE ION, octyl beta-D-glucopyranoside | 著者 | Singh, S.K, Hora, R, Belrhali, H, Chitnis, C, Sharma, A. | 登録日 | 2017-02-22 | 公開日 | 2017-03-08 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural basis for Duffy recognition by the malaria parasite Duffy-binding-like domain Nature, 439, 2006
|
|
1JAF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1jaf by Molmil](/molmil-images/mine/1jaf) | CRYSTAL STRUCTURE OF CYTOCHROME C' FROM RHODOCYCLUS GELATINOSUS AT 2.5 ANGSTOMS RESOLUTION | 分子名称: | CYTOCHROME C', PROTOPORPHYRIN IX CONTAINING FE | 著者 | Archer, M, Banci, L, Dikaya, E, Romao, M.J. | 登録日 | 1997-06-24 | 公開日 | 1998-01-21 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal Structure of Cytochrome C' from Rhodocyclus Gelatinosus and Comparison with Other Cytochromes C' J.Biol.Inorg.Chem., 2, 1997
|
|
1HLQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1hlq by Molmil](/molmil-images/mine/1hlq) | CRYSTAL STRUCTURE OF RHODOFERAX FERMENTANS HIGH POTENTIAL IRON-SULFUR PROTEIN REFINED TO 1.45 A | 分子名称: | HIGH-POTENTIAL IRON-SULFUR PROTEIN, IRON/SULFUR CLUSTER, SULFATE ION | 著者 | Gonzalez, A, Ciurli, S, Benini, S. | 登録日 | 2000-12-01 | 公開日 | 2003-06-03 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structure of Rhodoferax fermentans high-potential iron-sulfur protein solved by MAD. Acta Crystallogr.,Sect.D, 59, 2003
|
|
5OA5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5oa5 by Molmil](/molmil-images/mine/5oa5) | CELLOBIOHYDROLASE I (CEL7A) FROM HYPOCREA JECORINA WITH IMPROVED THERMAL STABILITY | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Exoglucanase 1, GLYCEROL | 著者 | Goedegebuur, F, Hansson, H, Karkehabadi, S, Mikkelsen, N, Stahlberg, J, Sandgren, M. | 登録日 | 2017-06-20 | 公開日 | 2017-09-06 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Improving the thermal stability of cellobiohydrolase Cel7A from Hypocrea jecorina by directed evolution. J. Biol. Chem., 292, 2017
|
|
4AL2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4al2 by Molmil](/molmil-images/mine/4al2) | |
4A71
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a71 by Molmil](/molmil-images/mine/4a71) | cytochrome c peroxidase in complex with phenol | 分子名称: | CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, PHENOL, ... | 著者 | Murphy, E.J, Metcalfe, C.L, Raven, E.L, Moody, P.C.E. | 登録日 | 2011-11-10 | 公開日 | 2012-10-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Crystal Structure of Guaiacol and Phenol Bound to a Heme Peroxidase. FEBS J., 279, 2012
|
|
6ZYO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zyo by Molmil](/molmil-images/mine/6zyo) | Structure of VIM-2 with 2-Mercaptomethyl-thiazolidine D-syn-1b | 分子名称: | (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase VIM-2, FORMIC ACID, ... | 著者 | Hinchliffe, P, Spencer, J. | 登録日 | 2020-08-02 | 公開日 | 2021-01-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | 2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases. Chem Sci, 12, 2021
|
|
6ZYR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zyr by Molmil](/molmil-images/mine/6zyr) | Structure of IMP-1 with 2-Mercaptomethyl-thiazolidine L-anti-1b | 分子名称: | (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, ACETATE ION, ... | 著者 | Hinchliffe, P, Spencer, J. | 登録日 | 2020-08-02 | 公開日 | 2021-01-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | 2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases. Chem Sci, 12, 2021
|
|
6ZYS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zys by Molmil](/molmil-images/mine/6zys) | Structure of IMP-1 with 2-Mercaptomethyl-thiazolidine D-syn-1b | 分子名称: | (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase IMP-1, ... | 著者 | Hinchliffe, P, Spencer, J. | 登録日 | 2020-08-02 | 公開日 | 2021-01-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.87000954 Å) | 主引用文献 | 2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases. Chem Sci, 12, 2021
|
|
6ZYP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zyp by Molmil](/molmil-images/mine/6zyp) | Structure of NDM-1 with 2-Mercaptomethyl-thiazolidine L-anti-1b | 分子名称: | (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase type 2, SULFATE ION, ... | 著者 | Hinchliffe, P, Spencer, J. | 登録日 | 2020-08-02 | 公開日 | 2021-01-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | 2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases. Chem Sci, 12, 2021
|
|
6ZYN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zyn by Molmil](/molmil-images/mine/6zyn) | Structure of VIM-2 with 2-Mercaptomethyl-thiazolidine L-anti-1b | 分子名称: | (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase VIM-2, FORMIC ACID, ... | 著者 | Hinchliffe, P, Spencer, J. | 登録日 | 2020-08-02 | 公開日 | 2021-01-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.4000138 Å) | 主引用文献 | 2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases. Chem Sci, 12, 2021
|
|
6ZYQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zyq by Molmil](/molmil-images/mine/6zyq) | Structure of NDM-1 with 2-Mercaptomethyl-thiazolidine D-syn-1b | 分子名称: | (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase type 2, SULFATE ION, ... | 著者 | Hinchliffe, P, Spencer, J. | 登録日 | 2020-08-02 | 公開日 | 2021-01-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | 2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases. Chem Sci, 12, 2021
|
|
7BJ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bj9 by Molmil](/molmil-images/mine/7bj9) | Structure of Sfh-I with 2-Mercaptomethyl-thiazolidine L-anti-1a | 分子名称: | (2~{S},4~{R})-2-ethoxycarbonyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase, GLYCEROL, ... | 著者 | Hinchliffe, P, Spencer, J. | 登録日 | 2021-01-14 | 公開日 | 2021-08-25 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.21000588 Å) | 主引用文献 | 2-Mercaptomethyl Thiazolidines (MMTZs) Inhibit All Metallo-beta-Lactamase Classes by Maintaining a Conserved Binding Mode. Acs Infect Dis., 7, 2021
|
|