5YC6
 
 | | The crystal structure of uPA in complex with 4-Bromobenzylamirne at pH4.6 | | 分子名称: | 1-(4-BROMOPHENYL)METHANAMINE, SULFATE ION, TRIETHYLENE GLYCOL, ... | | 著者 | Jiang, L.G, Zhang, X, Huang, M.D. | | 登録日 | 2017-09-06 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Halogen bonding for the design of inhibitors by targeting the S1 pocket of serine proteases
Rsc Adv, 8, 2018
|
|
5YJP
 | | Human chymase in complex with 3-(ethoxyimino)-7-oxo-1,4-diazepane derivative | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-((R)-1-((R,Z)-6-(5-chloro-2-methoxybenzyl)-3-(ethoxyimino)-7-oxo-1,4-diazepane-1-carboxamido)propyl)benzoic acid, ZINC ION, ... | | 著者 | Sugawara, H. | | 登録日 | 2017-10-11 | | 公開日 | 2017-12-27 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure-based design, synthesis, and binding mode analysis of novel and potent chymase inhibitors
Bioorg. Med. Chem. Lett., 28, 2018
|
|
5YC7
 | |
5YJK
 | | Human kallikrein 7 in complex with 1,4-diazepane-7-one 1-acetamide derivative | | 分子名称: | (R)-2-(6-(5-chloro-2-methoxybenzyl)-3-(2,2-dimethylhydrazono)-7-oxo-1,4-diazepan-1-yl)-N-(3-(methylsulfonyl)phenyl)acetamide, CHLORIDE ION, Kallikrein-7 | | 著者 | Sugawara, H. | | 登録日 | 2017-10-11 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Discovery and structure-activity relationship study of 1,3,6-trisubstituted 1,4-diazepane-7-ones as novel human kallikrein 7 inhibitors
Bioorg. Med. Chem. Lett., 27, 2017
|
|
5YJM
 | | Human chymase in complex with 7-oxo-3-(phenoxyimino)-1,4-diazepane derivative | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-4-((R)-1-((R,Z)-6-(5-chloro-2-methoxybenzyl)-7-oxo-3-(phenoxyimino)-1,4-diazepane-1-carboxamido)propyl)benzoic acid, ZINC ION, ... | | 著者 | Sugawara, H. | | 登録日 | 2017-10-11 | | 公開日 | 2017-12-27 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-based design, synthesis, and binding mode analysis of novel and potent chymase inhibitors
Bioorg. Med. Chem. Lett., 28, 2018
|
|
6AG7
 | | The crystal structure of uPA in complex with HMA-55F | | 分子名称: | 3,5-diamino-N-carbamimidoyl-6-(1-methyl-1H-pyrazol-4-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator | | 著者 | Buckley, B, Jiang, L.G, Majed, H, Huang, M.D, Kelso, M, Ranson, M. | | 登録日 | 2018-08-09 | | 公開日 | 2019-08-14 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | uPA-HMA
To Be Published
|
|
6AG3
 | | Crystal structure of uPA in complex with 3,5-bis(azanyl)-N-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide | | 分子名称: | 3,5-bis(azanyl)-N-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator | | 著者 | Buckley, B, Jiang, L.G, Majed, H, Huang, M.D, Kelso, M, Ranson, M. | | 登録日 | 2018-08-09 | | 公開日 | 2019-09-18 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | uPA-HMA
To Be Published
|
|
6A8O
 | | Crystal structures of the serine protease domain of murine plasma kallikrein with peptide inhibitor mupain-1-16 | | 分子名称: | Plasma kallikrein, alpha-D-mannopyranose, peptide inhibitor,, ... | | 著者 | Xu, M, Jiang, L, Huang, M. | | 登録日 | 2018-07-09 | | 公開日 | 2019-07-10 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | | 主引用文献 | Crystal structure of plasma kallikrein reveals the unusual flexibility of the S1 pocket triggered by Glu217.
Febs Lett., 592, 2018
|
|
6AG9
 | | Crystal structure of uPA in complex with 3,5-bis(azanyl)-6-(1-benzofuran-2-yl)-N-carbamimidoyl-pyrazine-2- carboxamide | | 分子名称: | 3,5-bis(azanyl)-6-(1-benzofuran-2-yl)-N-carbamimidoyl-pyrazine-2-carboxamide, SULFATE ION, Urokinase-type plasminogen activator | | 著者 | Buckley, B, Jiang, L.G, Majed, H, Huang, M.D, Kelso, M, Ranson, M. | | 登録日 | 2018-08-09 | | 公開日 | 2019-09-18 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | uPA-HMA
To Be Published
|
|
6AHS
 | | Mouse Kallikrein 7 in complex with imidazolinylindole derivative | | 分子名称: | 1-[(2-chlorophenyl)sulfonyl]-5-methyl-3-[(4R)-2-methyl-4,5-dihydro-1H-imidazol-4-yl]-1H-indole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | 著者 | Sugawara, H. | | 登録日 | 2018-08-20 | | 公開日 | 2019-01-02 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Discovery and structure-activity relationship of imidazolinylindole derivatives as kallikrein 7 inhibitors.
Bioorg. Med. Chem. Lett., 29, 2019
|
|
6AG2
 | | uPA-HMA | | 分子名称: | 3,5-bis(azanyl)-N-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide, SULFATE ION, Urokinase-type plasminogen activator | | 著者 | Buckley, B, Jiang, L.G, Huang, M.D, Kelso, M, Ranson, M. | | 登録日 | 2018-08-09 | | 公開日 | 2019-09-18 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | uPA-HMA
To Be Published
|
|
5ZFI
 | | Mouse kallikrein 7 in complex with 6-benzyl-1,4-diazepan-7-one derivative | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[(3Z,6R)-6-[(2,6-dichlorophenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxo-1,4-diazepan-1-yl]-N-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]acetamide, Kallikrein-7 | | 著者 | Sugawara, H. | | 登録日 | 2018-03-06 | | 公開日 | 2018-06-27 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure-based drug design to overcome species differences in kallikrein 7 inhibition of 1,3,6-trisubstituted 1,4-diazepan-7-ones.
Bioorg. Med. Chem., 26, 2018
|
|
5Z1C
 | | The crystal structure of uPA in complex with 4-Iodobenzylamine at pH7.4 | | 分子名称: | 1-(4-iodophenyl)methanamine, Urokinase-type plasminogen activator | | 著者 | Jiang, L.G, Zhang, X, Luo, Z.P, Huang, M.D. | | 登録日 | 2017-12-25 | | 公開日 | 2018-12-26 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Halogen bonding for the design of inhibitors by targeting the S1 pocket of serine proteases
Rsc Adv, 49, 2018
|
|
5Y9L
 | | Human kallikrein 7 in complex with 1,3,6-trisubstituted 1,4-diazepane-7-one | | 分子名称: | 3-[2-[(3Z,6R)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]ethanoylamino]benzoic acid, CHLORIDE ION, Kallikrein-7 | | 著者 | Sugawara, H. | | 登録日 | 2017-08-25 | | 公開日 | 2017-11-29 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Discovery and structure-activity relationship study of 1,3,6-trisubstituted 1,4-diazepane-7-ones as novel human kallikrein 7 inhibitors
Bioorg. Med. Chem. Lett., 27, 2017
|
|
5ZFH
 | | Mouse Kallikrein 7 | | 分子名称: | Kallikrein-7 | | 著者 | Sugawara, H. | | 登録日 | 2018-03-06 | | 公開日 | 2018-06-27 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Structure-based drug design to overcome species differences in kallikrein 7 inhibition of 1,3,6-trisubstituted 1,4-diazepan-7-ones.
Bioorg. Med. Chem., 26, 2018
|
|
3P70
 | | Structural basis of thrombin-mediated factor V activation: essential role of the hirudin-like sequence Glu666-Glu672 for processing at the heavy chain-B domain junction | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BENZAMIDINE, ... | | 著者 | Corral-Rodriguez, M.A, Bock, P.E, Hernandez-Carvajal, E, Gutierrez-Gallego, R, Fuentes-Prior, P. | | 登録日 | 2010-10-11 | | 公開日 | 2011-09-28 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Structural basis of thrombin-mediated factor V activation: the Glu666-Glu672 sequence is critical for processing at the heavy chain-B domain junction.
Blood, 117, 2011
|
|
1VZQ
 | | Complex of thrombin with designed inhibitor 7165 | | 分子名称: | 4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL-5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE, CALCIUM ION, HIRUDIN VARIANT-2, ... | | 著者 | Shaerer, K, Morgenthaler, M, Seiler, P, Diederich, F, Banner, D.W, Tschopp, T, Obst-Sander, U. | | 登録日 | 2004-05-24 | | 公開日 | 2005-06-20 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Enantiomerically Pure Thrombin Inhibitors for Exploring the Molecular-Recognition Features of the Oxyanion Hole
Helv.Chim.Acta, 87, 2004
|
|
3P6Z
 | | Structural basis of thrombin mediated factor V activation: essential role of the hirudin-like sequence Glu666-Glu672 for processing at the heavy chain-B domain junction | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | 著者 | Corral-Rodriguez, M.A, Bock, P.E, Hernandez-Carvajal, E, Gutierrez-Gallego, R, Fuentes-Prior, P. | | 登録日 | 2010-10-11 | | 公開日 | 2011-06-15 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural basis of thrombin-mediated factor V activation: the Glu666-Glu672 sequence is critical for processing at the heavy chain-B domain junction.
Blood, 117, 2011
|
|
2FWW
 | |
2FXR
 | |
3KHV
 | | Crystal Structures of Urokinase-type Plasminogen Activator in Complex with 4-(Aminomethyl) Benzoic Acid and 4-(Aminomethyl-phenyl)-methanol | | 分子名称: | SULFATE ION, TRIETHYLENE GLYCOL, Urokinase-type plasminogen activator, ... | | 著者 | Jiang, L.-G, Zhao, G.-X, Bian, X.-B, Yuan, C, Huang, Z.-X, Huang, M.-D. | | 登録日 | 2009-10-30 | | 公開日 | 2009-12-01 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Crystal Structures of Urokinase-type Plasminogen Activator in Complex with 4-(Aminomethyl) Benzoic Acid and 4-(Aminomethyl-phenyl)-methanol
CHIN.J.STRUCT.CHEM., 28, 2009
|
|
3KID
 | | The Crystal Structures of 2-Aminobenzothiazole-based Inhibitors in Complexes with Urokinase-type Plasminogen Activator | | 分子名称: | Urokinase-type plasminogen activator, ethyl 2-amino-1,3-benzothiazole-6-carboxylate | | 著者 | Jiang, L.-G, Yu, H.Y, Yuan, C, Wang, J.D, Chen, L.Q, Meehan, E.J, Huang, Z.-X, Huang, M.-D. | | 登録日 | 2009-11-01 | | 公開日 | 2009-12-01 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Crystal Structures of 2-Aminobenzothiazole-based Inhibitors in Complexes with Urokinase-type Plasminogen Activator
CHIN.J.STRUCT.CHEM., 28, 2009
|
|
4MNV
 | | Crystal structure of bicyclic peptide UK729 bound as an acyl-enzyme intermediate to urokinase-type plasminogen activator (uPA) | | 分子名称: | 1,3,5-tris(bromomethyl)benzene, ACETATE ION, GLYCEROL, ... | | 著者 | Chen, S, Pojer, F, Heinis, C. | | 登録日 | 2013-09-11 | | 公開日 | 2014-02-05 | | 最終更新日 | 2017-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Peptide ligands stabilized by small molecules.
Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
4MLF
 | | Crystal structure for the complex of thrombin mutant D102N and hirudin | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Hirudin variant-1, ... | | 著者 | Vogt, A.D, Pozzi, N, Chen, Z, Di Cera, E. | | 登録日 | 2013-09-06 | | 公開日 | 2013-09-25 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Essential role of conformational selection in ligand binding.
Biophys.Chem., 186C, 2014
|
|
4I7Y
 | | Crystal Structure of Human Alpha Thrombin in Complex with a 27-mer Aptamer Bound to Exosite II | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, DNA (27-MER), ... | | 著者 | Pica, A, Russo Krauss, I, Merlino, A, Mazzarella, L, Sica, F. | | 登録日 | 2012-12-01 | | 公開日 | 2013-10-16 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Duplex-quadruplex motifs in a peculiar structural organization cooperatively contribute to thrombin binding of a DNA aptamer.
Acta Crystallogr.,Sect.D, 69, 2013
|
|
