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1DEU
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BU of 1deu by Molmil
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:2023-08-09
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
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:2024-03-13
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
1QDQ
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X-RAY CRYSTAL STRUCTURE OF BOVINE CATHEPSIN B-CA074 COMPLEX
Descriptor: CATHEPSIN B, [PROPYLAMINO-3-HYDROXY-BUTAN-1,4-DIONYL]-ISOLEUCYL-PROLINE
Authors:Yamamoto, A.
Deposit date:1999-07-10
Release date:2000-07-10
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Substrate specificity of bovine cathepsin B and its inhibition by CA074, based on crystal structure refinement of the complex.
J.Biochem.(Tokyo), 127, 2000
1F29
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BU of 1f29 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO A VINYL SULFONE DERIVED INHIBITOR (I)
Descriptor: 3-[[N-[MORPHOLIN-N-YL]-CARBONYL]-PHENYLALANINYL-AMINO]-5- PHENYL-PENTANE-1-SULFONYLBENZENE, CRUZAIN
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: 3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONYLMETHYLBENZENE, CRUZAIN
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
1F2B
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CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO VINYL SULFONE DERIVED INHIBITOR (III)
Descriptor: 3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID 4-NITRO-PHENYL ESTER, CRUZAIN
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 (1.8 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
1F2C
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CRYSTAL STRUCTURE ANALYSIS OF CRYZAIN BOUND TO VINYL SULFONE DERIVED INHIBITOR (IV)
Descriptor: 3-[[N-[4-METHYL-PIPERAZINYL]CARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID BENZYLOXY-AMIDE, CRUZAIN
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 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
1CVZ
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CRYSTAL STRUCTURE ANALYSIS OF PAPAIN WITH CLIK148(CATHEPSIN L SPECIFIC INHIBITOR)
Descriptor: N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-ETHYL)-SUCCINAMIDE, PAPAIN
Authors:Tsuge, H.
Deposit date:1999-08-24
Release date:2000-08-30
Last modified:2022-12-21
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
1FH0
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CRYSTAL STRUCTURE OF HUMAN CATHEPSIN V COMPLEXED WITH AN IRREVERSIBLE VINYL SULFONE INHIBITOR
Descriptor: CATHEPSIN V, Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide, SULFATE ION
Authors:Somoza, J.R.
Deposit date:2000-07-30
Release date:2001-07-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of human cathepsin V.
Biochemistry, 39, 2000
1K3B
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Crystal Structure of Human Dipeptidyl Peptidase I (Cathepsin C): Exclusion Domain Added to an Endopeptidase Framework Creates the Machine for Activation of Granular Serine Proteases
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, SULFATE ION, ...
Authors:Turk, D, Janjic, V, Stern, I, Podobnik, M, Lamba, D, Dahl, S.W, Lauritzen, C, Pedersen, J, Turk, V, Turk, B.
Deposit date:2001-10-02
Release date:2002-04-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of human dipeptidyl peptidase I (cathepsin C): exclusion domain added to an endopeptidase framework creates the machine for activation of granular serine proteases.
EMBO J., 20, 2001
1GLO
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Crystal Structure of Cys25Ser mutant of human cathepsin S
Descriptor: CATHEPSIN S
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
Last modified:2023-12-13
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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BU of 1gmy by Molmil
Cathepsin B complexed with dipeptidyl nitrile inhibitor
Descriptor: 2-AMINOETHANIMIDIC ACID, 3-METHYLPHENYLALANINE, CATHEPSIN B, ...
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
Last modified:2017-07-05
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
1JQP
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dipeptidyl peptidase I (cathepsin C), a tetrameric cysteine protease of the papain family
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, SULFATE ION, ...
Authors:Olsen, J.G, Kadziola, A, Lauritzen, C, Pedersen, J, Larsen, S, Dahl, S.W.
Deposit date:2001-08-08
Release date:2002-10-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Tetrameric dipeptidyl peptidase I directs substrate specificity by use of the residual pro-part domain
FEBS LETT., 506, 2001
1MHW
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BU of 1mhw by Molmil
Design of non-covalent inhibitors of human cathepsin L. From the 96-residue proregion to optimized tripeptides
Descriptor: 4-biphenylacetyl-Cys-(D)Arg-Tyr-N-(2-phenylethyl) amide, Cathepsin L
Authors: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.
Deposit date:2002-08-21
Release date:2002-12-11
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design of non-covalent inhibitors of human cathepsin L. From the 96-residue proregion to optimized tripeptides
J.Med.Chem., 45, 2002
1ME3
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BU of 1me3 by Molmil
High Resolution Crystal Structure Analysis Of Cruzain non-covalently Bound To A Hydroxymethyl Ketone Inhibitor (II)
Descriptor: Cruzipain, [1-(3-HYDROXY-2-OXO-1-PHENETHYL-PROPYLCARBAMOYL)2-PHENYL-ETHYL]-CARBAMIC ACID PYRIDIN-4-YLMETHYL 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
1ME4
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BU of 1me4 by Molmil
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
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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
1NLJ
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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
1ITO
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Crystal Structure Analysis of Bovine Spleen Cathepsin B-E64c complex
Descriptor: Cathepsin B, 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
Last modified:2023-10-25
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
1NB3
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Crystal structure of stefin A in complex with cathepsin H: N-terminal residues of inhibitors can adapt to the active sites of endo-and exopeptidases
Descriptor: CATHEPSIN H MINI CHAIN, Cathepsin H, Stefin A, ...
Authors:Jenko, S, Dolenc, I, Guncar, G, Dobersek, A, Podobnik, M, Turk, D.
Deposit date:2002-12-02
Release date:2003-02-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of stefin A in complex with cathepsin H: N-terminal residues of inhibitors can adapt to the active sites of endo- and exopeptidases
J.Mol.Biol., 326, 2003
1NB5
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Crystal structure of stefin A in complex with cathepsin H
Descriptor: Cathepsin H, Cathepsin H MINI CHAIN, STEFIN A, ...
Authors:Jenko, S, Dolenc, I, Guncar, G, Dobersek, A, Podobnik, M, Turk, D.
Deposit date:2002-12-02
Release date:2003-02-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of stefin A in complex with cathepsin H: N-terminal residues of inhibitors can adapt to the active sites of endo- and exopeptidases
J.Mol.Biol., 326, 2003
1NQC
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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
1NPZ
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Crystal structures of Cathepsin S inhibitor complexes
Descriptor: Cathepsin S, N~2~-(morpholin-4-ylcarbonyl)-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-leucinamide
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, Seddon, A.P, Menard, R, Cygler, M, Rath, V.L.
Deposit date:2003-01-20
Release date:2003-04-15
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Specificity determinants of human cathepsin s revealed by crystal structures of complexes.
Biochemistry, 42, 2003
1MS6
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Dipeptide Nitrile Inhibitor Bound to Cathepsin S.
Descriptor: Cathepsin S, MORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE
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
Last modified:2011-07-13
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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