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8IUI
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Crystal structure of silkworm fibroinase complexed with E-64
分子名称: Fibroinase, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE
著者Guo, P.C, Wang, Z, Zhao, P.
登録日2023-03-24
公開日2024-04-03
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Crystal structure of silkworm fibroinase complexed with E64 silworm
To Be Published
6EZP
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CATHEPSIN L IN COMPLEX WITH (3S,14E)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-12,17-dioxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide
分子名称: (3~{S},14~{E})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide, Cathepsin L1, GLYCEROL
著者Banner, D.W, Benz, J, Kuglstatter, A.
登録日2017-11-16
公開日2018-04-11
最終更新日2018-05-09
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors.
J. Med. Chem., 61, 2018
6EXO
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Crystal Structure of Rhodesain in complex with a Macrolactam Inhibitor
分子名称: (3~{S},14~{E})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide, 1,2-ETHANEDIOL, Cysteine protease
著者Dietzel, U, Kisker, C.
登録日2017-11-08
公開日2018-04-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors.
J. Med. Chem., 61, 2018
6EX8
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Crystal Structure of Rhodesain in complex with a Macrolactam Inhibitor
分子名称: (3~{S})-~{N}-[1-(aminomethyl)cyclopropyl]-19-chloranyl-5-oxidanylidene-9-(trifluoromethyl)-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(20),6(11),7,9,18,21-hexaene-3-carboxamide, 1,2-ETHANEDIOL, Cysteine protease
著者Dietzel, U, Kisker, C.
登録日2017-11-07
公開日2018-04-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors.
J. Med. Chem., 61, 2018
6EXQ
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Crystal Structure of Rhodesain in complex with a Macrolactam Inhibitor
分子名称: (3~{S})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-8-methoxy-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(20),6(11),7,9,18,21-hexaene-3-carboxamide, 1,2-ETHANEDIOL, Cysteine protease
著者Dietzel, U, Kisker, C.
登録日2017-11-08
公開日2018-04-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors.
J. Med. Chem., 61, 2018
6F06
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CATHEPSIN L IN COMPLEX WITH (3S,14E)-8-(azetidin-3-yl)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-12,17-dioxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide
分子名称: (3~{S},14~{E})-8-(azetidin-3-yl)-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide, CHLORIDE ION, Cathepsin L1, ...
著者Kuglstatter, A, Stihle, M.
登録日2017-11-17
公開日2018-04-11
最終更新日2018-05-09
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors.
J. Med. Chem., 61, 2018
6EZX
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CATHEPSIN L IN COMPLEX WITH (3S,14E)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-17-oxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide
分子名称: (3~{S},14~{E})-19-chloranyl-~{N}-[1-(iminomethyl)cyclopropyl]-5-oxidanylidene-17-oxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide, Cathepsin L1
著者Banner, D.W, Benz, J, Kuglstatter, A.
登録日2017-11-16
公開日2018-04-11
最終更新日2018-05-09
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors.
J. Med. Chem., 61, 2018
8OZA
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Human cathepsin L in complex with covalently bound CA-074 methyl ester
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Cathepsin L, ...
著者Falke, S, Lieske, J, Guenther, S, Ewert, W, Reinke, P.Y.A, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
登録日2023-05-08
公開日2023-07-05
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
8PCH
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CRYSTAL STRUCTURE OF PORCINE CATHEPSIN H DETERMINED AT 2.1 ANGSTROM RESOLUTION: LOCATION OF THE MINI-CHAIN C-TERMINAL CARBOXYL GROUP DEFINES CATHEPSIN H AMINOPEPTIDASE FUNCTION
分子名称: CATHEPSIN H, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Guncar, G, Podobnik, M, Pungercar, J, Strukelj, B, Turk, V, Turk, D.
登録日1997-11-07
公開日1998-12-09
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of porcine cathepsin H determined at 2.1 A resolution: location of the mini-chain C-terminal carboxyl group defines cathepsin H aminopeptidase function.
Structure, 6, 1998
8PRX
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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
8OFA
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Crystal structure of human cathepsin L interacting with tosyl phenylalanyl chloromethyl ketone (TPCK)
分子名称: 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 4-methyl-~{N}-[(2~{S})-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]benzenesulfonamide, ...
著者Falke, S, Lieske, J, Guenther, S, Ewert, W, Reinke, P.Y.A, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
登録日2023-03-14
公開日2023-11-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
3KKU
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BU of 3kku by Molmil
Cruzain in complex with a non-covalent ligand
分子名称: 1,2-ETHANEDIOL, Cruzipain, N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide, ...
著者Ferreira, R.S, Eidam, O, Shoichet, B.K.
登録日2009-11-06
公開日2010-07-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Complementarity between a docking and a high-throughput screen in discovering new cruzain inhibitors.
J.Med.Chem., 53, 2010
6YYN
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BU of 6yyn by Molmil
Structure of Cathepsin S in complex with Compound 14
分子名称: CITRATE ANION, Cathepsin S, SULFATE ION, ...
著者Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q.
登録日2020-05-05
公開日2021-05-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
6YYO
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Structure of Cathepsin S in complex with Compound 1
分子名称: 1,2-ETHANEDIOL, 6-(4-methylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine, CITRATE ANION, ...
著者Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q.
登録日2020-05-05
公開日2021-05-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
6YYP
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Structure of Cathepsin S in complex with Compound 2
分子名称: 1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-amine, ACETATE ION, Cathepsin S, ...
著者Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q.
登録日2020-05-05
公開日2021-05-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
6YYQ
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Structure of Cathepsin S in complex with Compound 3
分子名称: (6~{R})-2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine, Cathepsin S
著者Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q.
登録日2020-05-05
公開日2021-05-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
6YYR
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Structure of Cathepsin S in complex with Compound 20b
分子名称: (2~{R})-~{N}-(2-azanylideneethyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethanoylamino]-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-propanamide, 1,2-ETHANEDIOL, CITRATE ANION, ...
著者Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q.
登録日2020-05-05
公開日2021-05-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
5MAE
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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
3KWB
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Structure of CatK covalently bound to a dioxo-triazine inhibitor
分子名称: 3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile, Cathepsin K
著者Uitdehaag, J.C.M, van Zeeland, M.
登録日2009-12-01
公開日2010-04-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Dioxo-triazines as a novel series of cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
3KW9
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X-ray structure of Cathepsin K covalently bound to a triazine ligand
分子名称: 4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile, Cathepsin K, trifluoroacetic acid
著者Uitdehaag, J.C.M, van Zeeland, M.
登録日2009-12-01
公開日2010-03-02
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3KWZ
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Cathepsin K in complex with a non-selective 2-cyano-pyrimidine inhibitor
分子名称: 4-(3-piperidin-1-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile, Cathepsin K, SULFATE ION
著者Fradera, X, Uitdehaag, J.C.M, van Zeeland, M.
登録日2009-12-02
公開日2010-03-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
5MBM
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Cathepsin B in complex with DARPin 8h6
分子名称: Cathepsin B, DARPin 8h6
著者Turk, D, Kramer, L, Renko, M, Turk, B.
登録日2016-11-08
公開日2017-12-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Cathepsin B in complex with DARPin 8h6
To Be Published
5MQY
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CATHEPSIN L IN COMPLEX WITH 4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropyrimidine-2-carbonitrile
分子名称: 1,2-ETHANEDIOL, 4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropyrimidine-2-carbonitrile, Cathepsin L1
著者Kuglstatter, A, Stihle, M, Benz, J.
登録日2016-12-21
公開日2017-03-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Prospective Evaluation of Free Energy Calculations for the Prioritization of Cathepsin L Inhibitors.
J. Med. Chem., 60, 2017
5MBL
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Cathepsin B in complex with DARPin 81
分子名称: Cathepsin B, DARPin 81, SULFATE ION
著者Turk, D, Kramer, L, Renko, M, Turk, B.
登録日2016-11-08
公開日2017-12-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Cathepsin B in complex with DARPin 81
To Be Published
3KX1
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Cathepsin K in complex with a selective 2-cyano-pyrimidine inhibitor
分子名称: 4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile, Cathepsin K, SULFATE ION
著者Fradera, X, Uitdehaag, J.C.M, van Zeeland, M.
登録日2009-12-02
公開日2010-03-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 20, 2010

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