4P6G
 
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4PI3
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4P6E
 | | Crystal Structure of Human Cathepsin S Bound to a Non-covalent Inhibitor | | 分子名称: | Cathepsin S, N-[(8R)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide, SULFATE ION | | 著者 | Wang, Y, Jadhav, P.K, Deng, G.G. | | 登録日 | 2014-03-24 | | 公開日 | 2014-10-29 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of Cathepsin S Inhibitor LY3000328 for the Treatment of Abdominal Aortic Aneurysm.
Acs Med.Chem.Lett., 5, 2014
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4QH6
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6OKJ
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3PNR
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6P4E
 | | Leishmania mexicana CPB in complex with an aza-nitrile inhibitor | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-tert-butyl-N-[(2S)-1-(2-cyano-1,2-dimethylhydrazinyl)-4-methyl-1-oxopentan-2-yl]-1-methyl-1H-pyrazole-5-carboxamide (non-preferred name), ... | | 著者 | Ribeiro, J.F.R, Li, C, De Vita, D, Emsley, J, Montanari, C.A. | | 登録日 | 2019-05-27 | | 公開日 | 2020-06-03 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | High Resolution X-Ray Crystal Structures of LmCPB2.8 Co-Crystalized with Dipeptidyl Aza-nitrile Inhibitor and Structure Activity Relationships
To Be Published
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6PAD
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6PXF
 | | Structure of human Cathepsin K with an ectosteric inhibitor at 1.85 Angstrom resolution | | 分子名称: | 1,6,6-trimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-2-sulfonic acid, Cathepsin K | | 著者 | Law, S, Aguda, A.H, Nguyen, N.T, Brayer, G.D, Bromme, D. | | 登録日 | 2019-07-25 | | 公開日 | 2020-07-29 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structure of human Cathepsin K with an ectosteric inhibitor at 1.85 Angstrom resolution
To Be Published
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3QSD
 | | Structure of cathepsin B1 from Schistosoma mansoni in complex with CA074 inhibitor | | 分子名称: | ACETATE ION, Cathepsin B-like peptidase (C01 family), DI(HYDROXYETHYL)ETHER, ... | | 著者 | Rezacova, P, Jilkova, A, Brynda, J, Horn, M, Mares, M. | | 登録日 | 2011-02-21 | | 公開日 | 2011-08-10 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Structural Basis for Inhibition of Cathepsin B Drug Target from the Human Blood Fluke, Schistosoma mansoni.
J.Biol.Chem., 286, 2011
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6QBS
 | | The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K | | 分子名称: | (2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Mons, E, Jansen, I.D.C, Loboda, J, van Doodewaerd, B.R, Verdoes, M, van Boeckel, C.A.A, van Veelen, P.A, Turk, B, Turk, D, Hermans, J, Ovaa, H. | | 登録日 | 2018-12-21 | | 公開日 | 2019-02-06 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K.
J. Am. Chem. Soc., 141, 2019
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6QL8
 | | Cathepsin-K in complex with MIV-711 | | 分子名称: | Cathepsin K, NITRATE ION, ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-ethynyl-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-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide | | 著者 | Derbyshire, D.J. | | 登録日 | 2019-01-31 | | 公開日 | 2020-02-19 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K.
To Be Published
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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
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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
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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
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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
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3S3Q
 | | Structure of cathepsin B1 from Schistosoma mansoni in complex with K11017 inhibitor | | 分子名称: | ACETATE ION, Cathepsin B-like peptidase (C01 family), N~2~-(morpholin-4-ylcarbonyl)-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-leucinamide | | 著者 | Rezacova, P, Jilkova, A, Brynda, J, Horn, M, Mares, M. | | 登録日 | 2011-05-18 | | 公開日 | 2011-08-10 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural Basis for Inhibition of Cathepsin B Drug Target from the Human Blood Fluke, Schistosoma mansoni.
J.Biol.Chem., 286, 2011
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3S3R
 | | Structure of cathepsin B1 from Schistosoma mansoni in complex with K11777 inhibitor | | 分子名称: | Cathepsin B-like peptidase (C01 family), Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide | | 著者 | Rezacova, P, Jilkova, A, Brynda, J, Horn, M, Mares, M. | | 登録日 | 2011-05-18 | | 公開日 | 2011-08-10 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | Structural Basis for Inhibition of Cathepsin B Drug Target from the Human Blood Fluke, Schistosoma mansoni.
J.Biol.Chem., 286, 2011
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4AXL
 | | HUMAN CATHEPSIN L APO FORM WITH ZN | | 分子名称: | ACETATE ION, CATHEPSIN L1, GLYCEROL, ... | | 著者 | Banner, D.W, Benz, J. | | 登録日 | 2012-06-13 | | 公開日 | 2013-05-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Optimization of Triazine Nitriles as Rhodesain Inhibitors: Structure-Activity Relationships, Bioisosteric Imidazopyridine Nitriles, and X-Ray Crystal Structure Analysis with Human Cathepsin L
Chemmedchem, 8, 2013
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4AXM
 | | TRIAZINE CATHEPSIN INHIBITOR COMPLEX | | 分子名称: | 4-[(4-chlorobenzyl)(cyclohexyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide, CATHEPSIN L1, GLYCEROL | | 著者 | Ehmke, V, Diederich, F, Banner, D.W, Benz, J. | | 登録日 | 2012-06-13 | | 公開日 | 2013-05-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Optimization of Triazine Nitriles as Rhodesain Inhibitors: Structure-Activity Relationships, Bioisosteric Imidazopyridine Nitriles, and X-Ray Crystal Structure Analysis with Human Cathepsin L
Chemmedchem, 8, 2013
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4BPV
 | | MOUSE CATHEPSIN S WITH COVALENT LIGAND | | 分子名称: | (4R)-4-[(2-chloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}phenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide, CATHEPSIN S | | 著者 | Banner, D.W, Benz, J, Gsell, B, Stihle, M, Ruf, A, Haap, W. | | 登録日 | 2013-05-28 | | 公開日 | 2014-06-11 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Cathepsin S Nitrile Inhibitors
To be Published
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3U8E
 | | Crystal Structure of Cysteine Protease from Bulbs of Crocus sativus at 1.3 A Resolution | | 分子名称: | GLYCEROL, Papain-like Cysteine Protease, SODIUM ION, ... | | 著者 | Iqbal, S, Akrem, A, Buck, F, Perbandt, M, Banumathi, S, Betzel, C. | | 登録日 | 2011-10-17 | | 公開日 | 2011-10-26 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Crystal Structure of A Papain-like Cysteine Protease from Bulbs of Crocus sativum at 1.3 A resolution
To be Published
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4BS5
 | | MOUSE CATHEPSIN S WITH COVALENT LIGAND | | 分子名称: | (2S,4R)-N-[1-(iminomethyl)cyclopropyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-2-carboxamide, CATHEPSIN S | | 著者 | Banner, D.W, Benz, J, Gsell, B, Stihle, M, Ruf, A, Haap, W. | | 登録日 | 2013-06-07 | | 公開日 | 2013-11-27 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Identification of Potent and Selective Cathepsin S (Cats) Inhibitors Containing Different Central Cyclic Scaffolds.
J.Med.Chem., 56, 2013
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4BQV
 | | MOUSE CATHEPSIN S WITH COVALENT LIGAND | | 分子名称: | (2S,4R)-N-(1-cyanocyclopropyl)-1-(1-methylcyclopropanecarbonyl)-4-[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide, CATHEPSIN S | | 著者 | Banner, D.W, Benz, J, Gsell, B, Stihle, M, Ruf, A, Haap, W. | | 登録日 | 2013-06-03 | | 公開日 | 2014-06-18 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Cathepsin S Nitrile Inhibitors
To be Published
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4BSQ
 | | MOUSE CATHEPSIN S WITH COVALENT LIGAND | | 分子名称: | (1R,2R,4R)-N-(2-azanylideneethyl)-2-morpholin-4-ylcarbonyl-4-(phenylsulfonyl)cyclopentane-1-carboxamide, CATHEPSIN S, SULFATE ION | | 著者 | Banner, D.W, Benz, J, Gsell, B, Stihle, M, Ruf, A, Hilpert, H. | | 登録日 | 2013-06-11 | | 公開日 | 2013-11-27 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Identification of Potent and Selective Cathepsin S (Cats) Inhibitors Containing Different Central Cyclic Scaffolds.
J.Med.Chem., 56, 2013
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