8H78
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8h78 by Molmil](/molmil-images/mine/8h78) | Crystal structure of human MMP-2 catalytic domain in complex with inhibitor | 分子名称: | (2~{R})-2-[[4-[(4-aminocarbonylphenyl)carbonylamino]phenyl]sulfonylamino]-5-[(2~{S},4~{S})-4-azanyl-2-[[(2~{S})-1-[[(2~{S})-1-[(5-azanyl-5-oxidanylidene-pentyl)amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ... | 著者 | Kamitani, M, Takeuchi, T, Mima, M. | 登録日 | 2022-10-19 | 公開日 | 2023-01-18 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery of TP0597850: A Selective, Chemically Stable, and Slow Tight-Binding Matrix Metalloproteinase-2 Inhibitor with a Phenylbenzamide-Pentapeptide Hybrid Scaffold. J.Med.Chem., 66, 2023
|
|
7XJO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xjo by Molmil](/molmil-images/mine/7xjo) | Crystal structure of human MMP-2 catalytic domain in complex with inhibitor | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | 著者 | Kamitani, M, Mima, M, Takeuchi, T. | 登録日 | 2022-04-18 | 公開日 | 2022-06-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of Aryloxyphenyl-Heptapeptide Hybrids as Potent and Selective Matrix Metalloproteinase-2 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis. J.Med.Chem., 65, 2022
|
|
7XGJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xgj by Molmil](/molmil-images/mine/7xgj) | Crystal structure of human MMP-2 catalytic domain in complex with inhibitor | 分子名称: | CALCIUM ION, GZS-ASN-ASP-ALA-LEU-IML-EOE-NH2, Matrix metalloproteinase-2, ... | 著者 | Kamitani, M, Mima, M, Takeuchi, T. | 登録日 | 2022-04-05 | 公開日 | 2022-06-29 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery of Aryloxyphenyl-Heptapeptide Hybrids as Potent and Selective Matrix Metalloproteinase-2 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis. J.Med.Chem., 65, 2022
|
|
1EZS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ezs by Molmil](/molmil-images/mine/1ezs) | CRYSTAL STRUCTURE OF ECOTIN MUTANT M84R, W67A, G68A, Y69A, D70A BOUND TO RAT ANIONIC TRYPSIN II | 分子名称: | CALCIUM ION, ECOTIN, TRYPSIN II, ... | 著者 | Gillmor, S.A, Takeuchi, T, Yang, S.Q, Craik, C.S, Fletterick, R.J. | 登録日 | 2000-05-11 | 公開日 | 2000-06-23 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Compromise and accommodation in ecotin, a dimeric macromolecular inhibitor of serine proteases. J.Mol.Biol., 299, 2000
|
|
1EZU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ezu by Molmil](/molmil-images/mine/1ezu) | ECOTIN Y69F, D70P BOUND TO D102N TRYPSIN | 分子名称: | CALCIUM ION, ECOTIN, TRYPSIN II, ... | 著者 | Gillmor, S.A, Takeuchi, T, Yang, S.Q, Craik, C.S, Fletterick, R.J. | 登録日 | 2000-05-11 | 公開日 | 2000-06-23 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Compromise and accommodation in ecotin, a dimeric macromolecular inhibitor of serine proteases. J.Mol.Biol., 299, 2000
|
|
3AYU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ayu by Molmil](/molmil-images/mine/3ayu) | Crystal structure of MMP-2 active site mutant in complex with APP-drived decapeptide inhibitor | 分子名称: | 72 kDa type IV collagenase, Amyloid beta A4 protein, CALCIUM ION, ... | 著者 | Hashimoto, H, Takeuchi, T, Komatsu, K, Miyazaki, K, Sato, M, Higashi, S. | 登録日 | 2011-05-17 | 公開日 | 2011-08-03 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural basis for matrix metalloproteinase-2 (MMP-2)-selective inhibitory action of {beta}-amyloid precursor protein-derived inhibitor J.Biol.Chem., 2011
|
|
7C7O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7c7o by Molmil](/molmil-images/mine/7c7o) | Crystal structure of E.coli DNA gyrase B in complex with 6-fluoro-8-(methylamino)-2-oxo-1,2-dihydroquinoline derivative | 分子名称: | 4-[[4-(3-azanylpropylamino)-6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B | 著者 | Kamitani, M, Mima, M, Takeuchi, T, Ushiyama, F. | 登録日 | 2020-05-26 | 公開日 | 2020-10-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Lead optimization of 8-(methylamino)-2-oxo-1,2-dihydroquinolines as bacterial type II topoisomerase inhibitors. Bioorg.Med.Chem., 28, 2020
|
|
6KZX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kzx by Molmil](/molmil-images/mine/6kzx) | Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative | 分子名称: | 3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B | 著者 | Mima, M, Takeuchi, T, Ushiyama, F. | 登録日 | 2019-09-25 | 公開日 | 2020-05-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Lead Identification of 8-(Methylamino)-2-oxo-1,2-dihydroquinoline Derivatives as DNA Gyrase Inhibitors: Hit-to-Lead Generation Involving Thermodynamic Evaluation. Acs Omega, 5, 2020
|
|
6L01
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6l01 by Molmil](/molmil-images/mine/6l01) | Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative | 分子名称: | 2-[3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]phenyl]ethanoic acid, DNA gyrase subunit B | 著者 | Mima, M, Takeuchi, T, Ushiyama, F. | 登録日 | 2019-09-25 | 公開日 | 2020-05-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Lead Identification of 8-(Methylamino)-2-oxo-1,2-dihydroquinoline Derivatives as DNA Gyrase Inhibitors: Hit-to-Lead Generation Involving Thermodynamic Evaluation. Acs Omega, 5, 2020
|
|
6KZZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kzz by Molmil](/molmil-images/mine/6kzz) | Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative | 分子名称: | 4-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B | 著者 | Mima, M, Takeuchi, T, Ushiyama, F. | 登録日 | 2019-09-25 | 公開日 | 2020-05-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Lead Identification of 8-(Methylamino)-2-oxo-1,2-dihydroquinoline Derivatives as DNA Gyrase Inhibitors: Hit-to-Lead Generation Involving Thermodynamic Evaluation. Acs Omega, 5, 2020
|
|
3VV1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vv1 by Molmil](/molmil-images/mine/3vv1) | Crystal Structure of Caenorhabditis elegans galectin LEC-6 | 分子名称: | MAGNESIUM ION, Protein LEC-6, beta-D-galactopyranose-(1-4)-alpha-L-fucopyranose | 著者 | Makyio, H, Takeuchi, T, Tamura, M, Nishiyama, K, Takahashi, H, Natsugari, H, Arata, Y, Kasai, K, Yamada, Y, Wakatsuki, S, Kato, R. | 登録日 | 2012-07-10 | 公開日 | 2013-05-22 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural basis of preferential binding of fucose-containing saccharide by the Caenorhabditis elegans galectin LEC-6 Glycobiology, 23, 2013
|
|
3AGR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3agr by Molmil](/molmil-images/mine/3agr) | |
2RQ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rq5 by Molmil](/molmil-images/mine/2rq5) | |
7Y6L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7y6l by Molmil](/molmil-images/mine/7y6l) | |
7Y6N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7y6n by Molmil](/molmil-images/mine/7y6n) | |
7X93
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x93 by Molmil](/molmil-images/mine/7x93) | |
7X95
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x95 by Molmil](/molmil-images/mine/7x95) | |
7X94
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x94 by Molmil](/molmil-images/mine/7x94) | |
7X96
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x96 by Molmil](/molmil-images/mine/7x96) | |
7X91
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x91 by Molmil](/molmil-images/mine/7x91) | |
7X8Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x8z by Molmil](/molmil-images/mine/7x8z) | |
7X8W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x8w by Molmil](/molmil-images/mine/7x8w) | |
7X8Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x8y by Molmil](/molmil-images/mine/7x8y) | |
7X90
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x90 by Molmil](/molmil-images/mine/7x90) | |
7X92
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x92 by Molmil](/molmil-images/mine/7x92) | |