3OIS
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CRYSTAL STRUCTURE XYLELLAIN, A CYSTEINE PROTEASE FROM XYLELLA FASTIDIOSA
Descriptor:Cysteine protease
Authors:Leite, N.R., Faro, A.R., Oliva, M.A.V., Thiemann, O.H., Oliva, G.
Deposit date:2010-08-19
Release date:2011-08-03
Modification date:2013-03-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The crystal structure of the cysteine protease Xylellain from Xylella fastidiosa reveals an intriguing activation mechanism.
Febs Lett., 587, 2013
4YV8
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CRYSTAL STRUCTURE OF CATHEPSIN K BOUND TO THE COVALENT INHIBITOR LICHOSTATINAL
Descriptor:cathepsin K (E.C.3.4.22.38), AG2-URE-SER-VAL-ARG
Authors:Aguda, A.H., Nguyen, N.T., Bromme, D., Brayer, G.D.
Deposit date:2015-03-19
Release date:2016-05-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Affinity Crystallography: A New Approach To Extracting High Affinity Enzyme Inhibitors From Natural Extracts
To Be Published
4YVA
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CATHEPSIN K CO-CRYSTALLIZED WITH ACTINOMYCETES EXTRACT
Descriptor:cathepsin K (E.C.3.4.22.38)
Authors:Aguda, A.H., Nguyen, N.T., Bromme, D., Brayer, G.D.
Deposit date:2015-03-19
Release date:2016-05-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Affinity Crystallography: A New Approach To Extracting High Affinity Enzyme Inhibitors From Natural Extracts
To Be Published
5J94
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HUMAN CATHEPSIN K MUTANT C25S IN COMPLEX WITH THE ALLOSTERIC EFFECTOR NSC13345
Descriptor:Cathepsin K (E.C.3.4.22.38)
Authors:Novinec, M., Korenc, M., Lenarcic, B., Baici, A.
Deposit date:2016-04-08
Release date:2016-04-20
Method:X-RAY DIFFRACTION (2.220025 Å)
Cite:A novel allosteric mechanism in the cysteine peptidase cathepsin K discovered by computational methods.
Nat Commun, 5, 2014
3F75
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ACTIVATED TOXOPLASMA GONDII CATHEPSIN L (TGCPL) IN COMPLEX WITH ITS PROPEPTIDE
Descriptor:Cathepsin L (E.C.3.4.22.15)
Authors:Larson, E.T., Merritt, E.A., Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2008-11-07
Release date:2008-11-25
Modification date:2013-07-31
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Toxoplasma gondii cathepsin L is the primary target of the invasion-inhibitory compound morpholinurea-leucyl-homophenyl-vinyl sulfone phenyl.
J.Biol.Chem., 284, 2009
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
Modification date:2009-02-24
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
Modification date:2009-02-24
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
Modification date:2009-02-24
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
Modification date:2009-02-24
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
Modification date:2009-02-24
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
Modification date:2012-02-29
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
Modification date:2012-02-29
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
Modification date:2012-02-29
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
Modification date:2009-02-24
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
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
Modification date:2009-02-24
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
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
Modification date:2009-02-24
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
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:HUMAN PROCATHEPSIN X
Authors:Sivaraman, J., Nagler, D.K., Zhang, R., Menard, R., Cygler, M.
Deposit date:1999-11-15
Release date:2000-02-18
Modification date:2011-07-13
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
Modification date: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
1FH0
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CRYSTAL STRUCTURE OF HUMAN CATHEPSIN V COMPLEXED WITH AN IRREVERSIBLE VINYL SULFONE INHIBITOR
Descriptor:CATHEPSIN V (E.C.3.4.22.-)
Authors:Somoza, J.R.
Deposit date:2000-07-30
Release date:2001-07-30
Modification date:2011-10-12
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of human cathepsin V.
Biochemistry, 39, 2000
1GLO
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CRYSTAL STRUCTURE OF CYS25SER MUTANT OF HUMAN CATHEPSIN S
Descriptor:CATHEPSIN S (E.C.3.4.22.27)
Authors:Turkenburg, J.P., Lamers, M.B.A.C., Brzozowski, A.M., Wright, L.M., Hubbard, R.E., Sturt, S.L., Williams, D.H.
Deposit date:2001-08-31
Release date:2002-08-29
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a Cys25->Ser Mutant of Human Cathepsin Cathepsin S
Acta Crystallogr.,Sect.D, 58, 2002
1GMY
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CATHEPSIN B COMPLEXED WITH DIPEPTIDYL NITRILE INHIBITOR
Descriptor:CATHEPSIN B (E.C.3.4.22.1)
Authors:Greenspan, P.D., Clark, K.L., Tommasi, R.A., Cowen, S.D., Mcquire, L.W., Farley, D.L., Van Duzer, J.H., Goldberg, R.L., Zhou, H., Du, Z., Fitt, J.J., Coppa, D.E., Fang, Z., Macchia, W., Zhu, L., Capparelli, M.P., Goldstein, R., Wigg, A.M., Doughty, J.R., Bohacek, R.S., Knap, A.K.
Deposit date:2001-09-25
Release date:2002-09-19
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of Dipeptidyl Nitriles as Potent and Selective Inhibitors of Cathepsin B Through Structure-Based Drug Design
J.Med.Chem., 44, 2001
1ITO
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CRYSTAL STRUCTURE ANALYSIS OF BOVINE SPLEEN CATHEPSIN B-E64C COMPLEX
Descriptor:Cathepsin B(E.C.3.4.22.1)/ N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-2-METHYL-BUTANE
Authors:Yamamoto, A., Tomoo, T., Matsugi, K., Hara, T., In, Y., Murata, M., Kitamura, K., Ishida, T.
Deposit date:2002-01-19
Release date:2003-01-19
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2.286 Å)
Cite:Structural basis for development of cathepsin B-specific noncovalent-type inhibitor: crystal structure of cathepsin B-E64c complex
BIOCHIM.BIOPHYS.ACTA, 1597, 2002
1M6D
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CRYSTAL STRUCTURE OF HUMAN CATHEPSIN F
Descriptor:cathepsin F (E.C.3.4.22.41)
Authors:Somoza, J.R., Palmer, J.T., Ho, J.D.
Deposit date:2002-07-15
Release date:2003-07-15
Modification date:2013-07-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The crystal structure of human cathepsin F and its implications for the development of novel immunomodulators
J.Mol.Biol., 322, 2002
1MEM
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CRYSTAL STRUCTURE OF CATHEPSIN K COMPLEXED WITH A POTENT VINYL SULFONE INHIBITOR
Descriptor:CATHEPSIN K, INHIBITOR APC3328, 4-SULFONYLBENZENE GROUP
Authors:Mcgrath, M.E.
Deposit date:1997-01-08
Release date:1998-01-14
Modification date:2014-01-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human cathepsin K complexed with a potent inhibitor.
Nat.Struct.Biol., 4, 1997
1MS6
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DIPEPTIDE NITRILE INHIBITOR BOUND TO CATHEPSIN S.
Descriptor:Cathepsin S (E.C.3.4.22.27)
Authors:Ward, Y.D., Thomson, D.S., Frye, L.L., Cywin, C.L., Morwick, T., Emmanuel, M.J., Zindell, R., McNeil, D., Bekkali, Y., Giradot, M., Hrapchak, M., DeTuri, M., Crane, K., White, D., Pav, S., Wang, Y., Hao, M.H., Grygon, C.A., Labadia, M.E., Freeman, D.M., Davidson, W., Hopkins, J.L., Brown, M.L., Spero, D.M.
Deposit date:2002-09-19
Release date:2003-04-22
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design and synthesis of dipeptide nitriles as reversible and potent Cathepsin S inhibitors
J.Med.Chem., 45, 2002
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