6UX6
 
 | | Cruzain covalently bound by a vinylsulfone compound | | 分子名称: | Cruzipain, GLYCEROL, Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-phenyl-4-(phenylsulfonyl)butan-2-yl]-L-phenylalaninamide | | 著者 | Zhai, X, Tang, S, Chenna, B.C, Meek, T.D, Sacchettini, J.C. | | 登録日 | 2019-11-06 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Cruzain covalently bound by a vinylsulfone compound
To Be Published
|
|
6X44
 | | High Resolution Crystal Structure Analysis of SERA5 proenzyme from plasmodium falciparum | | 分子名称: | DI(HYDROXYETHYL)ETHER, Serine repeat antigen 5 | | 著者 | Clarke, O.B, Smith, N.A, Lee, M, Smith, B.J. | | 登録日 | 2020-05-22 | | 公開日 | 2020-10-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.19733953 Å) | | 主引用文献 | Structure of the Plasmodium falciparum PfSERA5 pseudo-zymogen.
Protein Sci., 29, 2020
|
|
6QLM
 | | Cathepsin-K in complex with MIV-701 | | 分子名称: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Cathepsin K, GLYCEROL, ... | | 著者 | Derbyshire, D.J. | | 登録日 | 2019-02-01 | | 公開日 | 2020-02-19 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K.
To Be Published
|
|
6QM0
 | | Cathepsin-K in complex with amino-oxaazabicyclo[3.3.0]octanyl containing inhibitor | | 分子名称: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Cathepsin K, ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-azanyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-fluoranyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide | | 著者 | Derbyshire, D.J. | | 登録日 | 2019-02-01 | | 公開日 | 2020-02-19 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K.
To Be Published
|
|
6QLX
 | | Cathepsin-K in complex with fluoro-oxa-azabicyclo[3.3.0]octanyl containing inhibitor | | 分子名称: | Cathepsin K, ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{S},6~{a}~{S})-6-fluoranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-thiophen-2-yl-benzamide | | 著者 | Derbyshire, D.J. | | 登録日 | 2019-02-01 | | 公開日 | 2020-02-19 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K.
To Be Published
|
|
6QLW
 | | Cathepsin-K in complex with MIV-710 | | 分子名称: | CHLORIDE ION, Cathepsin K, SODIUM ION, ... | | 著者 | Derbyshire, D.J. | | 登録日 | 2019-02-01 | | 公開日 | 2020-02-19 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K.
To Be Published
|
|
5F02
 | | CATHEPSIN L IN COMPLEX WITH (2S,4R)-4-(2-Chloro-4-methoxy-benzenesulfonyl)-1-[3-(5-chloro-pyridin-2-yl)-azetidine-3-carbonyl]-pyrrolidine-2-carboxylic acid (1-cyano-cyclopropyl)-amide | | 分子名称: | (2~{S},4~{R})-4-[(2-chloranyl-4-methoxy-phenyl)-bis(oxidanyl)-$l^{4}-sulfanyl]-1-[3-(5-chloranylpyridin-2-yl)azetidin-3-yl]carbonyl-~{N}-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide, Cathepsin L1, GLYCEROL | | 著者 | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | | 登録日 | 2015-11-27 | | 公開日 | 2016-02-24 | | 最終更新日 | 2016-05-25 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
|
|
4HWY
 | | Trypanosoma brucei procathepsin B solved from 40 fs free-electron laser pulse data by serial femtosecond X-ray crystallography | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Redecke, L, Nass, K, DePonte, D.P, White, T.A, Rehders, D, Barty, A, Stellato, F, Liang, M, Barends, T.R.M, Boutet, S, Williams, G.W, Messerschmidt, M, Seibert, M.M, Aquila, A, Arnlund, D, Bajt, S, Barth, T, Bogan, M.J, Caleman, C, Chao, T.-C, Doak, R.B, Fleckenstein, H, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Johansson, L.C, Kassemeyer, S, Katona, G, Kirian, R.A, Koopmann, R, Kupitz, C, Lomb, L, Martin, A.V, Mogk, S, Neutze, R, Shoemann, R.L, Steinbrener, J, Timneanu, N, Wang, D, Weierstall, U, Zatsepin, N.A, Spence, J.C.H, Fromme, P, Schlichting, I, Duszenko, M, Betzel, C, Chapman, H. | | 登録日 | 2012-11-09 | | 公開日 | 2012-12-05 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Natively inhibited Trypanosoma brucei cathepsin B structure determined by using an X-ray laser.
Science, 339, 2013
|
|
5FPW
 | |
7E3F
 | | Crystal structure of Trypanosoma brucei cathepsin B Y217C/S275C mutant | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Abe, S, Pham, T.T, Negishi, H, Yamashita, K, Hirata, K, Ueno, T. | | 登録日 | 2021-02-08 | | 公開日 | 2021-12-15 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Design of an In-Cell Protein Crystal for the Environmentally Responsive Construction of a Supramolecular Filament.
Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
7E3G
 | | Crystal structure of Trypanosoma brucei cathepsin B R91C/T223C mutant in the living cell | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Abe, S, Pham, T.T, Negishi, H, Yamashita, K, Hirata, K, Ueno, T. | | 登録日 | 2021-02-08 | | 公開日 | 2021-12-15 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.86 Å) | | 主引用文献 | Design of an In-Cell Protein Crystal for the Environmentally Responsive Construction of a Supramolecular Filament.
Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
7E3E
 | | Crystal structure of Trypanosoma brucei cathepsin B R91C/T223C mutant | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Abe, S, Pham, T.T, Negishi, H, Yamashita, K, Hirata, K, Ueno, T. | | 登録日 | 2021-02-08 | | 公開日 | 2021-12-15 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Design of an In-Cell Protein Crystal for the Environmentally Responsive Construction of a Supramolecular Filament.
Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
7EI0
 | |
4I07
 | | Structure of mature form of cathepsin B1 from Schistosoma mansoni | | 分子名称: | ACETATE ION, CHLORIDE ION, Cathepsin B-like peptidase (C01 family) | | 著者 | Rezacova, P, Jilkova, A, Brynda, J, Horn, M, Mares, M. | | 登録日 | 2012-11-16 | | 公開日 | 2014-02-05 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Activation route of the Schistosoma mansoni cathepsin B1 drug target: structural map with a glycosaminoglycan switch
Structure, 22, 2014
|
|
2YJ8
 | | CATHEPSIN L WITH A NITRILE INHIBITOR | | 分子名称: | (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-(4-iodophenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide, CATHEPSIN L1, GLYCEROL | | 著者 | Banner, D.W, Benz, J.M, Haap, W. | | 登録日 | 2011-05-19 | | 公開日 | 2011-11-23 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Halogen Bonding at the Active Sites of Human Cathepsin L and Mek1 Kinase: Efficient Interactions in Different Environments.
Chemmedchem, 6, 2011
|
|
2YJB
 | | CATHEPSIN L WITH A NITRILE INHIBITOR | | 分子名称: | (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]carbonyl-pyrrolidine-2-carboxamide, CATHEPSIN L1, GLYCEROL | | 著者 | Banner, D.W, Benz, J.M, Haap, W. | | 登録日 | 2011-05-19 | | 公開日 | 2011-11-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Halogen Bonding at the Active Sites of Human Cathepsin L and Mek1 Kinase: Efficient Interactions in Different Environments.
Chemmedchem, 6, 2011
|
|
8CD9
 | | Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 6 | | 分子名称: | 1,2-ETHANEDIOL, Cathepsin B-like peptidase (C01 family), SODIUM ION, ... | | 著者 | Rubesova, P, Brynda, J, Fanfrlik, J, Gerwick, W.H, Mares, M. | | 登録日 | 2023-01-30 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Nature-Inspired Gallinamides Are Potent Antischistosomal Agents: Inhibition of the Cathepsin B1 Protease Target and Binding Mode Analysis.
Acs Infect Dis., 10, 2024
|
|
8C77
 | | Human cathepsin L after reaction with the thiocarbazate inhibitor CID 16725315 | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Cathepsin L, ... | | 著者 | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | 登録日 | 2023-01-12 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
|
|
2YJC
 | | CATHEPSIN L WITH A NITRILE INHIBITOR | | 分子名称: | (2S,4R)-1-[1-(4-chlorophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide, CATHEPSIN L1 | | 著者 | Banner, D.W, Benz, J.M, Haap, W. | | 登録日 | 2011-05-19 | | 公開日 | 2011-11-23 | | 最終更新日 | 2011-11-30 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | Halogen Bonding at the Active Sites of Human Cathepsin L and Mek1 Kinase: Efficient Interactions in Different Environments.
Chemmedchem, 6, 2011
|
|
5I4H
 | |
2YJ9
 | | CATHEPSIN L WITH A NITRILE INHIBITOR | | 分子名称: | (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]carbonyl-pyrrolidine-2-carboxamide, CATHEPSIN L1, GLYCEROL | | 著者 | Banner, D.W, Benz, J.M, Haap, W. | | 登録日 | 2011-05-19 | | 公開日 | 2011-11-23 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Halogen Bonding at the Active Sites of Human Cathepsin L and Mek1 Kinase: Efficient Interactions in Different Environments.
Chemmedchem, 6, 2011
|
|
2YJ2
 | | CATHEPSIN L WITH A NITRILE INHIBITOR | | 分子名称: | (2S,4R)-1-[1-(4-BROMOPHENYL)CYCLOPROPYL]CARBONYL-4-(2-CHLOROPHENYL)SULFONYL-N-[1-(IMINOMETHYL)CYCLOPROPYL]PYRROLIDINE-2-CARBOXAMIDE, CATHEPSIN L1, GLYCEROL | | 著者 | Banner, D.W, Benz, J.M, Haap, W. | | 登録日 | 2011-05-18 | | 公開日 | 2011-11-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Halogen Bonding at the Active Sites of Human Cathepsin L and Mek1 Kinase: Efficient Interactions in Different Environments.
Chemmedchem, 6, 2011
|
|
8PRX
 | | Crystal structure of human cathepsin L after reaction with the bound ketoamide inhibitor 13b | | 分子名称: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | 登録日 | 2023-07-12 | | 公開日 | 2023-08-23 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
|
|
8C3D
 | | Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections | | 分子名称: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, CALCIUM ION, Cathepsin K | | 著者 | Loboda, J, Karnicar, K, Lindic, N, Usenik, A, Lieske, J, Meents, A, Guenther, S, Reinke, P.Y.A, Falke, S, Ewert, W, Turk, D. | | 登録日 | 2022-12-23 | | 公開日 | 2023-09-27 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
|
|
5MAE
 | | CATHEPSIN L IN COMPLEX WITH (2S,4R)-4-(2-Chloro-4-methoxy-benzenesulfonyl)-1-[3-(5-chloro-pyridin-2-yl)-azetidine-3-carbonyl]-pyrrolidine-2-car boxylic acid (1-cyano-cyclopropyl)-amide | | 分子名称: | 1,2-ETHANEDIOL, Cathepsin L1, [4-[cyclopentyl(pyrazin-2-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneazanide | | 著者 | Kuglstatter, A, Stihle, M, Benz, J. | | 登録日 | 2016-11-03 | | 公開日 | 2017-01-11 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Inhibition of the Cysteine Protease Human Cathepsin L by Triazine Nitriles: AmideHeteroarene pi-Stacking Interactions and Chalcogen Bonding in the S3 Pocket.
ChemMedChem, 12, 2017
|
|
