1AEC
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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:2011-07-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of an actinidin-E-64 complex.
Biochemistry, 31, 1992
1AIM
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CRUZAIN INHIBITED BY BENZOYL-TYROSINE-ALANINE-FLUOROMETHYLKETONE
Descriptor:CRUZAIN, BENZOYL-TYROSINE-ALANINE-FLUORO-METHYL KETONE
Authors:Fletterick, R., Gillmor, S.
Deposit date:1997-04-21
Release date:1997-10-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural determinants of specificity in the cysteine protease cruzain.
Protein Sci., 6, 1997
1ATK
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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:2018-03-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of human osteoclast cathepsin K complex with E-64.
Nat.Struct.Biol., 4, 1997
1AU0
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CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT SYMMETRIC DIACYLAMINOMETHYL KETONE INHIBITOR
Descriptor:CATHEPSIN K, 1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL]AMINO]-2-PROPANONE
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:2018-03-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and Design of Potent and Selective Cathepsin K Inhibitors
J.Am.Chem.Soc., 119, 1997
1AU2
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CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PROPANONE INHIBITOR
Descriptor:CATHEPSIN K, 1-[[(4-PHENOXYPHENYL)SULFONYL]AMINO]-3-[[N/N-(4-PYRIDINYLCARBONYL)-L-LEUCYL]AMINO]-2-PROPANOL
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:2018-03-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and Design of Potent and Selective Cathepsin K Inhibitors
J.Am.Chem.Soc., 119, 1997
1AU3
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CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PYRROLIDINONE INHIBITOR
Descriptor:CATHEPSIN K, 1-[N[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL-4-[[N/N-[(PHENYLMETHOXY)CARBONYL]-/NL-LEUCYL]AMINO]-3-PYRROLIDINONE/N
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:2018-03-07
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
1AU4
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CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PYRROLIDINONE INHIBITOR
Descriptor:CATHEPSIN K, 4-[[N-[(PHENYLMETHOXY)CARBONYL]-/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-(PYRIDINYLMETHOXY)CARBONYL]AMINO]-4-METHYLPENT/NYL]-3-PYRROLIDINONE/N
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:2018-03-07
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
1AYU
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CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT SYMMETRIC BISCARBOHYDRAZIDE INHIBITOR
Descriptor:CATHEPSIN K, 1,5-BIS(N-BENZYLOXYCARBONYL-L-LEUCINYL)CARBOHYDRAZIDE
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:2018-03-07
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
1AYV
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CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT THIAZOLHYDRAZIDE INHIBITOR
Descriptor:CATHEPSIN K, N-[2-[1-(N-BENZYLOXYCARBONYLAMINO)-3-METHYLBUTYL]THIAZOL-4-YLCARBONYL]-N'-(BENZYLOXYCARBONYL-L-LEUCINYL)HYDRAZIDE
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:2018-03-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design of potent and selective human cathepsin K inhibitors that span the active site.
Proc.Natl.Acad.Sci.USA, 94, 1997
1AYW
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CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT BENZYLOXYBENZOYLCARBOHYDRAZIDE INHIBITOR
Descriptor:CATHEPSIN K, 1-(N-BENZYLOXYCARBONYL-L-LEUCINYL)-5-(3-BENZYLOXY BENZOYL)CARBOHYDRAZIDE
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:2018-03-07
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
1BGO
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CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PEPTIDOMIMETIC INHIBITOR
Descriptor:CATHEPSIN K, 1-[2-(3-BIPHENYL)-4-METHYLVALERYL)]AMINO-3-(2-PYRIDYLSULFONYL)AMINO-2-PROPANONE
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:2018-03-07
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
1BP4
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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:PAPAIN, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide
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:2018-03-07
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
1BQI
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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:PAPAIN, CARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONE
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:2018-03-07
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
1CPJ
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CRYSTAL STRUCTURES OF RECOMBINANT RAT CATHEPSIN B AND A CATHEPSIN B-INHIBITOR COMPLEX: IMPLICATIONS FOR STRUCTURE-BASED INHIBITOR DESIGN
Descriptor:CATHEPSIN B
Authors:Huber, C.P., Jia, Z.
Deposit date:1995-07-17
Release date:1995-12-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of recombinant rat cathepsin B and a cathepsin B-inhibitor complex. Implications for structure-based inhibitor design.
J.Biol.Chem., 270, 1995
1CQD
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THE 2.1 ANGSTROM STRUCTURE OF A CYSTEINE PROTEASE WITH PROLINE SPECIFICITY FROM GINGER RHIZOME, ZINGIBER OFFICINALE
Descriptor:PROTEIN (PROTEASE II), N-ACETYL-D-GLUCOSAMINE, BETA-L-FUCOSE, ...
Authors:Choi, K.H., Laursen, R.A., Allen, K.N.
Deposit date:1999-06-15
Release date:1999-09-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The 2.1 A structure of a cysteine protease with proline specificity from ginger rhizome, Zingiber officinale.
Biochemistry, 38, 1999
1CTE
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CRYSTAL STRUCTURES OF RECOMBINANT RAT CATHEPSIN B AND A CATHEPSIN B-INHIBITOR COMPLEX: IMPLICATIONS FOR STRUCTURE-BASED INHIBITOR DESIGN
Descriptor:CATHEPSIN B, 2-PYRIDINETHIOL
Authors:Huber, C.P., Jia, Z.
Deposit date:1995-05-03
Release date:1995-07-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of recombinant rat cathepsin B and a cathepsin B-inhibitor complex. Implications for structure-based inhibitor design.
J.Biol.Chem., 270, 1995
1CVZ
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CRYSTAL STRUCTURE ANALYSIS OF PAPAIN WITH CLIK148(CATHEPSIN L SPECIFIC INHIBITOR)
Descriptor:PAPAIN, N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-ETHYL)-SUCCINAMIDE
Authors:Tsuge, H.
Deposit date:1999-08-24
Release date:2000-08-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibition mechanism of cathepsin L-specific inhibitors based on the crystal structure of papain-CLIK148 complex.
Biochem.Biophys.Res.Commun., 266, 1999
1DEU
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CRYSTAL STRUCTURE OF HUMAN PROCATHEPSIN X: A CYSTEINE PROTEASE WITH THE PROREGION COVALENTLY LINKED TO THE ACTIVE SITE CYSTEINE
Descriptor:PROCATHEPSIN X
Authors:Sivaraman, J., Nagler, D.K., Zhang, R., Menard, R., Cygler, M.
Deposit date:1999-11-15
Release date:2000-02-18
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of human procathepsin X: a cysteine protease with the proregion covalently linked to the active site cysteine.
J.Mol.Biol., 295, 2000
1EF7
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CRYSTAL STRUCTURE OF HUMAN CATHEPSIN X
Descriptor:CATHEPSIN X
Authors:Guncar, G., Klemencic, I., Turk, B., Turk, V., Karaoglanovic-Carmona, A., Juliano, L., Turk, D.
Deposit date:2000-02-07
Release date:2000-03-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Crystal structure of cathepsin X: a flip-flop of the ring of His23 allows carboxy-monopeptidase and carboxy-dipeptidase activity of the protease.
Structure Fold.Des., 8, 2000
1EWL
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CRYSTAL STRUCTURE OF CRUZAIN BOUND TO WRR-99
Descriptor:CRUZAIN, N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-D-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE
Authors:Brinen, L.S., Gillmor, S.A., Fletterick, R.J.
Deposit date:2000-04-26
Release date:2003-06-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Cruzain bound to WRR-99
To be Published
1EWM
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THE CYSTEINE PROTEASE CRUZAIN BOUND TO WRR-112
Descriptor:CRUZAIN, N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-L-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE
Authors:Brinen, L.S., Gillmor, S.A., Fletterick, R.J.
Deposit date:2000-04-26
Release date:2003-06-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Cruzain bound to WRR-112
To be Published
1EWO
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THE CYSTEINE PROTEASE CRUZAIN BOUND TO WRR-204
Descriptor:CRUZAIN, N-[N'-BENZYLOXYCARBONYL-PHENYLALANINYL]-3-AMINO-5-PHENYL-PENTANE-1-SULFONIC ACID PHENYL ESTER
Authors:Brinen, L.S., Gillmor, S.A., Fletterick, R.J.
Deposit date:2000-04-26
Release date:2003-06-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Cruzain bound to WRR-204
To be Published
1EWP
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CRUZAIN BOUND TO MOR-LEU-HPQ
Descriptor:CRUZAIN, N-[(3S)-1-fluoro-2-oxo-5-phenylpentan-3-yl]-N~2~-(morpholin-4-ylcarbonyl)-L-leucinamide
Authors:Gillmor, S.A.
Deposit date:2000-04-26
Release date:2000-05-17
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Chapter 3: X-ray Structures of Complexes of Cruzain with Designed Covalent Inhibitors
Enzyme-ligand Interactions, Inhibition and Specificity, 1998
1F29
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CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO A VINYL SULFONE DERIVED INHIBITOR (I)
Descriptor:CRUZAIN, 3-[[N-[MORPHOLIN-N-YL]-CARBONYL]-PHENYLALANINYL-AMINO]-5- PHENYL-PENTANE-1-SULFONYLBENZENE
Authors:Brinen, L.S., Hansell, E., Roush, W.R., McKerrow, J.H., Fletterick, R.J.
Deposit date:2000-05-23
Release date:2000-07-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A target within the target: probing cruzain's P1' site to define structural determinants for the Chagas' disease protease.
Structure Fold.Des., 8, 2000
1F2A
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CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO A VINYL SULFONE DERIVED INHIBITOR (II)
Descriptor:CRUZAIN, 3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONYLMETHYLBENZENE
Authors:Brinen, L.S., Hansell, E., Roush, W.R., McKerrow, J.H., Fletterick, R.J.
Deposit date:2000-05-23
Release date:2000-07-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A target within the target: probing cruzain's P1' site to define structural determinants for the Chagas' disease protease.
Structure Fold.Des., 8, 2000
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