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1AU3	CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PYRROLIDINONE INHIBITOR Descriptor: 1-[N[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL-4-[[N/N-[(PHENYLMETHOXY)CARBONYL]-/NL-LEUCYL]AMINO]-3-PYRROLIDINONE/N, CATHEPSIN K Authors: Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S. Deposit date: 1997-09-10 Release date: 1998-10-14 Last modified: 2023-08-02 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Conformationally constrained 1,3-diamino ketones: a series of potent inhibitors of the cysteine protease cathepsin K. J.Med.Chem., 41, 1998
1AYU	CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT SYMMETRIC BISCARBOHYDRAZIDE INHIBITOR Descriptor: 1,5-BIS(N-BENZYLOXYCARBONYL-L-LEUCINYL)CARBOHYDRAZIDE, CATHEPSIN K Authors: Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S. Deposit date: 1997-11-10 Release date: 1998-11-25 Last modified: 2023-08-02 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Design of potent and selective human cathepsin K inhibitors that span the active site. Proc.Natl.Acad.Sci.USA, 94, 1997
1AU4	CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PYRROLIDINONE INHIBITOR Descriptor: 4-[[N-[(PHENYLMETHOXY)CARBONYL]-/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-(PYRIDINYLMETHOXY)CARBONYL]AMINO]-4-METHYLPENT/NYL]-3-PYRROLIDINONE/N, CATHEPSIN K Authors: Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S. Deposit date: 1997-09-10 Release date: 1998-10-14 Last modified: 2023-08-02 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Conformationally constrained 1,3-diamino ketones: a series of potent inhibitors of the cysteine protease cathepsin K. J.Med.Chem., 41, 1998
1MEG	CRYSTAL STRUCTURE OF A CARICAIN D158E MUTANT IN COMPLEX WITH E-64 Descriptor: CARICAIN, ETHANOL, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE Authors: Katerelos, N.A. Deposit date: 1996-05-04 Release date: 1997-01-11 Last modified: 2021-11-03 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of a caricain D158E mutant in complex with E-64. FEBS Lett., 392, 1996
1AEC	CRYSTAL STRUCTURE OF ACTINIDIN-E-64 COMPLEX+ Descriptor: ACTINIDIN, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE Authors: Varughese, K.I. Deposit date: 1992-02-05 Release date: 1993-10-31 Last modified: 2024-06-05 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Crystal structure of an actinidin-E-64 complex. Biochemistry, 31, 1992
1MEM	Crystal structure of Cathepsin K complexed with a potent vinyl sulfone inhibitor Descriptor: Cathepsin K, N-{(1R)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-N~2~-(piperazin-1-ylcarbonyl)-L-leucinamide Authors: Mcgrath, M.E. Deposit date: 1997-01-08 Release date: 1998-01-14 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal structure of human cathepsin K complexed with a potent inhibitor. Nat.Struct.Biol., 4, 1997
1ME4	High Resolution Crystal Structure Analysis Of Cruzain non-covalently Bound To A Hydroxymethyl Ketone Inhibitor (I) Descriptor: CRUZIPAIN, [1-(1-BENZYL-3-HYDROXY-2-OXO-PROPYLCARBAMOYL)-2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER Authors: Brinen, L.S, Huang, L, Ellman, J.A. Deposit date: 2002-08-07 Release date: 2002-12-18 Last modified: 2017-10-11 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Crystal Structures of Reversible Ketone-based Inhibitors of the Cysteine Protease Cruzain Bioorg.Med.Chem., 11, 2003
1NL6	Crystal Structure Of The Cysteine Protease Human Cathepsin K In Complex With A Covalent Azepanone Inhibitor Descriptor: 5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN-2-CARBOXYLIC ACID ((S)-3-METHYL-1-{(S)-3-OXO-1-[2-(3-PYRIDIN-2-YLPHENYL)ACETYL]AZEPAN-4-YLCARBAMOYL}BUTYL)AMIDE, Cathepsin K Authors: Smith, W.W, Janson, C.A, Zhao, B. Deposit date: 2003-01-06 Release date: 2003-01-14 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Azepanone-based inhibitors of human and rat cathepsin K J.Med.Chem., 44, 2001
2B1M	Crystal structure of a papain-fold protein without the catalytic cysteine from seeds of Pachyrhizus erosus Descriptor: DI(HYDROXYETHYL)ETHER, SPE31, TETRAETHYLENE GLYCOL, ... Authors: Zhang, M, Wei, Z, Chang, S. Deposit date: 2005-09-16 Release date: 2006-10-03 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of a papain-fold protein without the catalytic residue: a novel member in the cysteine proteinase family J.Mol.Biol., 358, 2006
1KHP	Monoclinic form of papain/ZLFG-DAM covalent complex Descriptor: Papain, peptidic inhibitor Authors: Janowski, R, Kozak, M, Jankowska, E, Grzonka, Z, Jaskolski, M. Deposit date: 2001-11-30 Release date: 2003-09-09 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (2 Å) Cite: Two polymorphs of a covalent complex between papain and a diazomethylketone inhibitor J.Pept.Res., 64, 2004
1AYW	CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT BENZYLOXYBENZOYLCARBOHYDRAZIDE INHIBITOR Descriptor: 1-(N-BENZYLOXYCARBONYL-L-LEUCINYL)-5-(3-BENZYLOXY BENZOYL)CARBOHYDRAZIDE, CATHEPSIN K Authors: Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S. Deposit date: 1997-11-10 Release date: 1998-11-25 Last modified: 2023-08-02 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Design of potent and selective human cathepsin K inhibitors that span the active site. Proc.Natl.Acad.Sci.USA, 94, 1997
2AIM	CRUZAIN INHIBITED WITH BENZOYL-ARGININE-ALANINE-FLUOROMETHYLKETONE Descriptor: BENZOYL-ARGININE-ALANINE-FLUORO-METHYL KETONE, CRUZAIN Authors: Gillmor, S.A, Fletterick, R.J. Deposit date: 1997-04-21 Release date: 1997-10-22 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structural determinants of specificity in the cysteine protease cruzain. Protein Sci., 6, 1997
2BDL	Cathepsin K complexed with a pyrrolidine ketoamide-based inhibitor Descriptor: (3S)-1-{[(3,5-DIMETHYLISOXAZOL-4-YL)AMINO]CARBONYL}-4,4-DIMETHYLPYRROLIDIN-3-YL{(1S)-1-[1-HYDROXY-2-OXO-2-{[(1R)-1-PHENYLETHYL]AMINO}ETHYL]PENTYL}CARBAMATE, Cathepsin K Authors: Shewchuk, L.M. Deposit date: 2005-10-20 Release date: 2006-03-21 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2 Å) Cite: Novel, potent P2-P3 pyrrolidine derivatives of ketoamide-based cathepsin K inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
2BDZ	Mexicain from Jacaratia mexicana Descriptor: Mexicain, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE Authors: Gavira, J.A, Oliver-Salvador, M.C, Gonzalez-Ramirez, L.A, Soriano-Garcia, M, Garcia-Ruiz, J.M. Deposit date: 2005-10-21 Release date: 2006-10-03 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystallographic structure of Mexicain from Jacaratia mexicana To be Published
1ATK	CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH THE COVALENT INHIBITOR E-64 Descriptor: CATHEPSIN K, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE Authors: Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S. Deposit date: 1996-12-19 Release date: 1998-02-04 Last modified: 2023-08-02 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal structure of human osteoclast cathepsin K complex with E-64. Nat.Struct.Biol., 4, 1997
1NLJ	CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT AZEPANONE INHIBITOR Descriptor: BENZOFURAN-2-CARBOXYLIC ACID {(S)-3-METHYL-1-[3-OXO-1-(PYRIDIN-2-YLSULFONYL)AZEPAN-4-YLCARBAMOYL]BUTYL}AMIDE, CATHEPSIN K Authors: Smith, W.W, Janson, C.A, Zhao, B. Deposit date: 2003-01-07 Release date: 2003-01-14 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Azepanone-Based Inhibitors of Human and Rat Cathepsin K J.Med.Chem., 44, 2001
1AU0	CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT SYMMETRIC DIACYLAMINOMETHYL KETONE INHIBITOR Descriptor: 1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL]AMINO]-2-PROPANONE, CATHEPSIN K Authors: Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S. Deposit date: 1997-09-09 Release date: 1998-10-14 Last modified: 2023-08-02 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structure and Design of Potent and Selective Cathepsin K Inhibitors J.Am.Chem.Soc., 119, 1997
1BGO	CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PEPTIDOMIMETIC INHIBITOR Descriptor: 1-[2-(3-BIPHENYL)-4-METHYLVALERYL)]AMINO-3-(2-PYRIDYLSULFONYL)AMINO-2-PROPANONE, CATHEPSIN K Authors: Desjarlais, R.L, Yamashita, D.S, Oh, H.-J, Bondinell, W.E, Uzinskas, I.N, Erhard, K.F, Allen, A.C, Haltiwanger, R.C, Zhao, B, Smith, W.W, Abdel-Meguid, S.S, D'Alessio, K, Janson, C.A, Mcqueney, M.S, Tomaszek, T.A, Levy, M.A, Veber, D.F. Deposit date: 1998-05-29 Release date: 1999-06-08 Last modified: 2023-08-02 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Use of X-Ray Co-Crystal Structures and Molecular Modeling to Design Potent and Selective Non-Peptide Inhibitors of Cathepsin K J.Am.Chem.Soc., 120, 1998
1AU2	CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PROPANONE INHIBITOR Descriptor: 1-[[(4-PHENOXYPHENYL)SULFONYL]AMINO]-3-[[N/N-(4-PYRIDINYLCARBONYL)-L-LEUCYL]AMINO]-2-PROPANOL, CATHEPSIN K Authors: Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S. Deposit date: 1997-09-10 Release date: 1998-10-14 Last modified: 2023-08-02 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structure and Design of Potent and Selective Cathepsin K Inhibitors J.Am.Chem.Soc., 119, 1997
1NQC	Crystal structures of Cathepsin S inhibitor complexes Descriptor: Cathepsin S, N-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]-N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE Authors: Pauly, T.A, Sulea, T, Ammirati, M, Sivaraman, J, Danley, D.E, Griffor, M.C, Kamath, A.V, Wang, I.K, Laird, E.R, Menard, R, Cygler, M, Rath, V.L. Deposit date: 2003-01-21 Release date: 2003-04-15 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Specificity determinants of human cathepsin s revealed by crystal structures of complexes. Biochemistry, 42, 2003
1BQI	USE OF PAPAIN AS A MODEL FOR THE STRUCTURE-BASED DESIGN OF CATHEPSIN K INHIBITORS. CRYSTAL STRUCTURES OF TWO PAPAIN INHIBITOR COMPLEXES DEMONSTRATE BINDING TO S'-SUBSITES. Descriptor: CARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONE, PAPAIN Authors: Lalonde, J.M, Zhao, B, Smith, W.W, Janson, C.A, Desjarlais, R.L, Tomaszek, T.A, Carr, T.J, Thompson, S.K, Yamashita, D.S, Veber, D.F, Abdel-Mequid, S.S. Deposit date: 1998-08-16 Release date: 1999-08-16 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Use of papain as a model for the structure-based design of cathepsin K inhibitors: crystal structures of two papain-inhibitor complexes demonstrate binding to S'-subsites. J.Med.Chem., 41, 1998
1BP4	USE OF PAPAIN AS A MODEL FOR THE STRUCTURE-BASED DESIGN OF CATHEPSIN K INHIBITORS. CRYSTAL STRUCTURES OF TWO PAPAIN INHIBITOR COMPLEXES DEMONSTRATE BINDING TO S'-SUBSITES. Descriptor: N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide, PAPAIN Authors: Lalonde, J.M, Zhao, B, Smith, W.W, Janson, C.A, Desjarlais, R.L, Tomaszek, T.A, Carr, T.J, Thompson, S.K, Yamashita, D.S, Veber, D.F, Abdel-Mequid, S.S. Deposit date: 1998-08-12 Release date: 1999-08-12 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Use of papain as a model for the structure-based design of cathepsin K inhibitors: crystal structures of two papain-inhibitor complexes demonstrate binding to S'-subsites. J.Med.Chem., 41, 1998
3O1G	Cathepsin K covalently bound to a 2-cyano pyrimidine inhibitor with a benzyl P3 group. Descriptor: Cathepsin K, N-benzyl-3-(2-cyano-6-propylpyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)benzamide, SULFATE ION Authors: Fradera, X, van Zeeland, M, Uitdehaag, J.C.M. Deposit date: 2010-07-21 Release date: 2010-10-06 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Optimisation of 2-cyano-pyrimidine inhibitors of cathepsin K: improving selectivity over hERG. Bioorg.Med.Chem.Lett., 20, 2010
3P5W	Actinidin from Actinidia arguta planch (Sarusashi) Descriptor: Actinidin, CADMIUM ION Authors: Manickam, Y, Nirmal, N, Suzuki, A, Sugiyama, Y, Yamane, T, Devadasan, V, Sharma, A. Deposit date: 2010-10-11 Release date: 2010-11-03 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structural analysis of actinidin and a comparison of cadmium and sulfur anomalous signals from actinidin crystals measured using in-house copper- and chromium-anode X-ray sources Acta Crystallogr.,Sect.D, 66, 2010
3P5X	Actinidin from Actinidia arguta planch (Sarusashi) Descriptor: Actinidin, CADMIUM ION Authors: Manickam, Y, Nirmal, N, Suzuki, A, Sugiyama, Y, Yamane, T, Devadasan, V, Sharma, A. Deposit date: 2010-10-11 Release date: 2010-11-03 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structural analysis of actinidin and a comparison of cadmium and sulfur anomalous signals from actinidin crystals measured using in-house copper- and chromium-anode X-ray sources Acta Crystallogr.,Sect.D, 66, 2010

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