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2OP3
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The structure of cathepsin S with a novel 2-arylphenoxyacetaldehyde inhibitor derived by the Substrate Activity Screening (SAS) method
分子名称: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL, Cathepsin S, ...
著者Spraggon, G, Inagaki, H, Tsuruoka, H, Hornsby, M, Lesley, S.A, Ellman, J.A.
登録日2007-01-26
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Characterization and optimization of selective, nonpeptidic inhibitors of cathepsin S with an unprecedented binding mode.
J.Med.Chem., 50, 2007
2OZ2
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Crystal structure analysis of cruzain bound to vinyl sulfone derived inhibitor (K11777)
分子名称: Cruzipain, NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-L-PHENYLALANINAMIDE, SULFATE ION
著者Rickert, M, Brinen, L.
登録日2007-02-23
公開日2008-02-26
最終更新日2019-09-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Vinyl sulfones as antiparasitic agents and a structural basis for drug design.
J.Biol.Chem., 284, 2009
2PRE
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BU of 2pre by Molmil
Crystal structure of plant cysteine protease Ervatamin-C complexed with irreversible inhibitor E-64 at 2.7 A resolution
分子名称: Ervatamin-C, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, SULFATE ION
著者Ghosh, R, Chakrabarti, C, Dattagupta, J.K, Biswas, S.
登録日2007-05-04
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural insights into the substrate specificity and activity of ervatamins, the papain-like cysteine proteases from a tropical plant, Ervatamia coronaria.
Febs J., 275, 2008
1VSN
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BU of 1vsn by Molmil
Crystal structure of a potent small molecule inhibitor bound to cathepsin K
分子名称: Cathepsin K, N-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-TRIFLUOROETHYL}-L-LEUCINAMIDE
著者McGrath, M.
登録日2007-03-19
公開日2007-04-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of a potent and selective non-basic cathepsin K inhibitor.
Bioorg.Med.Chem.Lett., 16, 2006
1HUC
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THE REFINED 2.15 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF HUMAN LIVER CATHEPSIN B: THE STRUCTURAL BASIS FOR ITS SPECIFICITY
分子名称: CATHEPSIN B
著者Musil, D, Bode, W.
登録日1993-04-21
公開日1995-01-26
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The refined 2.15 A X-ray crystal structure of human liver cathepsin B: the structural basis for its specificity.
EMBO J., 10, 1991
4BQV
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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
4BPV
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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
4BS5
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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
4BS6
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MOUSE CATHEPSIN S WITH COVALENT LIGAND
分子名称: (2S,4R)-4-[2-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-(trifluoromethyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide, CATHEPSIN S, GLYCEROL
著者Banner, D.W, Benz, J, Gsell, B, Stihle, M, Ruf, A, Haap, W.
登録日2013-06-07
公開日2014-06-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Cathepsin S Nitrile Inhibitors
To be Published
4BSQ
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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
1KHQ
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ORTHORHOMBIC FORM OF PAPAIN/ZLFG-DAM COVALENT COMPLEX
分子名称: Papain, peptidic inhibitor
著者Janowski, R, Kozak, M, Jankowska, E, Grzonka, Z, Jaskolski, M.
登録日2001-11-30
公開日2003-09-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Two polymorphs of a covalent complex between papain and a diazomethylketone inhibitor
J.Pept.Res., 64, 2004
4AXM
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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
1IWD
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Proposed Amino Acid Sequence and the 1.63 Angstrom X-ray Crystal Structure of a Plant Cysteine Protease Ervatamin B: Insight into the Structural Basis of its Stability and Substrate Specificity.
分子名称: ERVATAMIN B, THIOSULFATE
著者Chakrabarti, C, Biswas, S, Dattagupta, J.K.
登録日2002-05-02
公開日2003-05-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Proposed amino acid sequence and the 1.63 A X-ray crystal structure of a plant cysteine protease, ervatamin B: Some insights into the structural basis of its stability and substrate specificity
Proteins, 51, 2003
4AXL
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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
1ITO
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Crystal Structure Analysis of Bovine Spleen Cathepsin B-E64c complex
分子名称: Cathepsin B, N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-2-METHYL-BUTANE
著者Yamamoto, A, Tomoo, T, Matsugi, K, Hara, T, In, Y, Murata, M, Kitamura, K, Ishida, T.
登録日2002-01-19
公開日2003-01-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.286 Å)
主引用文献Structural basis for development of cathepsin B-specific noncovalent-type inhibitor: crystal structure of cathepsin B-E64c complex
BIOCHIM.BIOPHYS.ACTA, 1597, 2002
4DMX
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Cathepsin K inhibitor
分子名称: (1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide, Cathepsin K, GLYCEROL
著者Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M.
登録日2012-02-08
公開日2012-07-11
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献(1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis.
J.Med.Chem., 55, 2012
4DMY
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Cathepsin K inhibitor
分子名称: (1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide, Cathepsin K, GLYCEROL, ...
著者Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M.
登録日2012-02-08
公開日2012-07-11
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献(1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis.
J.Med.Chem., 55, 2012
1ME3
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High Resolution Crystal Structure Analysis Of Cruzain non-covalently Bound To A Hydroxymethyl Ketone Inhibitor (II)
分子名称: Cruzipain, [1-(3-HYDROXY-2-OXO-1-PHENETHYL-PROPYLCARBAMOYL)2-PHENYL-ETHYL]-CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER
著者Brinen, L.S, Huang, L, Ellman, J.A.
登録日2002-08-07
公開日2002-12-18
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal Structures of Reversible Ketone-based Inhibitors of the Cysteine Protease Cruzain
Bioorg.Med.Chem., 11, 2003
1ME4
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High Resolution Crystal Structure Analysis Of Cruzain non-covalently Bound To A Hydroxymethyl Ketone Inhibitor (I)
分子名称: CRUZIPAIN, [1-(1-BENZYL-3-HYDROXY-2-OXO-PROPYLCARBAMOYL)-2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER
著者Brinen, L.S, Huang, L, Ellman, J.A.
登録日2002-08-07
公開日2002-12-18
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal Structures of Reversible Ketone-based Inhibitors of the Cysteine Protease Cruzain
Bioorg.Med.Chem., 11, 2003
1KHP
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Monoclinic form of papain/ZLFG-DAM covalent complex
分子名称: Papain, peptidic inhibitor
著者Janowski, R, Kozak, M, Jankowska, E, Grzonka, Z, Jaskolski, M.
登録日2001-11-30
公開日2003-09-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Two polymorphs of a covalent complex between papain and a diazomethylketone inhibitor
J.Pept.Res., 64, 2004
1MHW
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Design of non-covalent inhibitors of human cathepsin L. From the 96-residue proregion to optimized tripeptides
分子名称: 4-biphenylacetyl-Cys-(D)Arg-Tyr-N-(2-phenylethyl) amide, Cathepsin L
著者Chowdhury, S, Sivaraman, J, Wang, J, Devanathan, G, Lachance, P, Qi, H, Menard, R, Lefebvre, J, Konishi, Y, Cygler, M, Sulea, T, Purisima, E.O.
登録日2002-08-21
公開日2002-12-11
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design of non-covalent inhibitors of human cathepsin L. From the 96-residue proregion to optimized tripeptides
J.Med.Chem., 45, 2002
1M6D
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Crystal structure of human cathepsin F
分子名称: 4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1-(3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)-2-PHENYLETHYL]-AMIDE, Cathepsin F
著者Somoza, J.R, Palmer, J.T, Ho, J.D.
登録日2002-07-15
公開日2003-07-15
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The crystal structure of human cathepsin F and its implications for the development of novel immunomodulators
J.Mol.Biol., 322, 2002
2YJC
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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
2YJ9
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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
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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

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