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5OGR
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BU of 5ogr by Molmil
Structure of cathepsin B1 from Schistosoma mansoni in complex with WRR286 inhibitor
Descriptor: 3-[[N-[4-METHYL-PIPERAZINYL]CARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID BENZYLOXY-AMIDE, ACETATE ION, Cathepsin B-like peptidase (C01 family)
Authors:Jilkova, A, Rezacova, P, Brynda, J, Mares, M.
Deposit date:2017-07-13
Release date:2018-11-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Druggable Hot Spots in the Schistosomiasis Cathepsin B1 Target Identified by Functional and Binding Mode Analysis of Potent Vinyl Sulfone Inhibitors.
Acs Infect Dis., 2020
5OGQ
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Structure of cathepsin B1 from Schistosoma mansoni in complex with WRR391 inhibitor
Descriptor: ACETATE ION, Cathepsin B-like peptidase (C01 family), ethyl 1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanylidene-1-[[(3~{S})-1-phenyl-5-pyridin-2-ylsulfonyl-pentan-3-yl]amino]propan-2-yl]carbamoyl]piperidine-4-carboxylate
Authors:Jilkova, A, Rezacova, P, Brynda, J, Mares, M.
Deposit date:2017-07-13
Release date:2018-11-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Druggable Hot Spots in the Schistosomiasis Cathepsin B1 Target Identified by Functional and Binding Mode Analysis of Potent Vinyl Sulfone Inhibitors.
Acs Infect Dis., 2020
2VHS
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Cathsilicatein, a chimera
Descriptor: CATHSILICATEIN, SULFATE ION
Authors:Fairhead, M, Kowatz, T, McMahon, S.A, Carter, L.G, Oke, M, Johnson, K.A, Liu, H, Naismith, J.H, Wal, C.F.V.D.
Deposit date:2007-11-24
Release date:2008-03-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure and Silica Condensing Activities of Silicatein Alpha-Cathepsin L Chimeras.
Chem. Commun., 2008
2WBF
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BU of 2wbf by Molmil
Crystal Structure Analysis of SERA5E from plasmodium falciparum with loop 690-700 ordered
Descriptor: CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Smith, B.J, Malby, R.L, Colman, P.M, Clarke, O.B.
Deposit date:2009-02-27
Release date:2009-03-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural insights into the protease-like antigen Plasmodium falciparum SERA5 and its noncanonical active-site serine.
J. Mol. Biol., 392, 2009
5PAD
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BU of 5pad by Molmil
BINDING OF CHLOROMETHYL KETONE SUBSTRATE ANALOGUES TO CRYSTALLINE PAPAIN
Descriptor: PAPAIN, PHQ-GLY-PHE-GLY-CHLOROMETHYLKETONE INHIBITOR
Authors:Drenth, J, Kalk, K.H, Swen, H.M.
Deposit date:1976-11-01
Release date:1977-04-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding of chloromethyl ketone substrate analogues to crystalline papain.
Biochemistry, 15, 1976
2R9O
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BU of 2r9o by Molmil
Cathepsin S complexed with Compound 8
Descriptor: Cathepsin S, N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
Authors:Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M.
Deposit date:2007-09-13
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
to be published
2R9N
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BU of 2r9n by Molmil
Cathepsin S complexed with Compound 26
Descriptor: Cathepsin S, N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
Authors:Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M.
Deposit date:2007-09-13
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
to be published
8IUI
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BU of 8iui by Molmil
Crystal structure of silkworm fibroinase complexed with E-64
Descriptor: Fibroinase, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE
Authors:Guo, P.C, Wang, Z, Zhao, P.
Deposit date:2023-03-24
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal structure of silkworm fibroinase complexed with E64 silworm
To Be Published
3BWK
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BU of 3bwk by Molmil
Crystal Structure of Falcipain-3 with Its inhibitor, K11017
Descriptor: Cysteine protease falcipain-3, N~2~-(morpholin-4-ylcarbonyl)-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-leucinamide, SULFATE ION
Authors:Kerr, I, Lee, J.H, Brinen, L.S.
Deposit date:2008-01-09
Release date:2009-01-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Vinyl sulfones as antiparasitic agents and a structural basis for drug design.
J.Biol.Chem., 284, 2009
8OFA
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BU of 8ofa by Molmil
Crystal structure of human cathepsin L interacting with tosyl phenylalanyl chloromethyl ketone (TPCK)
Descriptor: 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 4-methyl-~{N}-[(2~{S})-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]benzenesulfonamide, ...
Authors:Falke, S, Lieske, J, Guenther, S, Ewert, W, Reinke, P.Y.A, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
Deposit date:2023-03-14
Release date:2023-11-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
1VSN
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BU of 1vsn by Molmil
Crystal structure of a potent small molecule inhibitor bound to cathepsin K
Descriptor: Cathepsin K, N-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-TRIFLUOROETHYL}-L-LEUCINAMIDE
Authors:McGrath, M.
Deposit date:2007-03-19
Release date:2007-04-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of a potent and selective non-basic cathepsin K inhibitor.
Bioorg.Med.Chem.Lett., 16, 2006
8PCH
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BU of 8pch by Molmil
CRYSTAL STRUCTURE OF PORCINE CATHEPSIN H DETERMINED AT 2.1 ANGSTROM RESOLUTION: LOCATION OF THE MINI-CHAIN C-TERMINAL CARBOXYL GROUP DEFINES CATHEPSIN H AMINOPEPTIDASE FUNCTION
Descriptor: CATHEPSIN H, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Guncar, G, Podobnik, M, Pungercar, J, Strukelj, B, Turk, V, Turk, D.
Deposit date:1997-11-07
Release date:1998-12-09
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of porcine cathepsin H determined at 2.1 A resolution: location of the mini-chain C-terminal carboxyl group defines cathepsin H aminopeptidase function.
Structure, 6, 1998
1YK8
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BU of 1yk8 by Molmil
Cathepsin K complexed with a cyanamide-based inhibitor
Descriptor: Cathepsin K, TERT-BUTYL 2-CYANO-2-METHYLHYDRAZINECARBOXYLATE
Authors:Barrett, D.G, Deaton, D.N, Hassell, A.M, McFadyen, R.B, Miller, A.B, Miller, L.R, Payne, J.A, Shewchuk, L.M, Willard, D.H, Wright, L.L.
Deposit date:2005-01-17
Release date:2005-07-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Acyclic cyanamide-based inhibitors of cathepsin K.
Bioorg.Med.Chem.Lett., 15, 2005
1YK7
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BU of 1yk7 by Molmil
Cathepsin K complexed with a cyanopyrrolidine inhibitor
Descriptor: Cathepsin K, N2-[(BENZYLOXY)CARBONYL]-N1-[(3S)-1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE
Authors:Barrett, D.G, Deaton, D.N, Hassell, A.M, McFadyen, R.B, Miller, A.B, Miller, L.R, Shewchuk, L.M, Tavares, F.X, Willard, D.H, Wright, L.L.
Deposit date:2005-01-17
Release date:2005-03-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Novel and potent cyclic cyanamide-based cathepsin K inhibitors.
Bioorg.Med.Chem.Lett., 15, 2005
8PRX
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BU of 8prx by Molmil
Crystal structure of human cathepsin L after reaction with the bound ketoamide inhibitor 13b
Descriptor: 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
Authors:Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
Deposit date:2023-07-12
Release date:2023-08-23
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
3CH2
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BU of 3ch2 by Molmil
Crystal Structure Analysis of SERA5E from plasmodium falciparum
Descriptor: CALCIUM ION, Serine-repeat antigen protein
Authors:Smith, B.J, Malby, R.L, Colman, P.M, Clarke, O.B.
Deposit date:2008-03-07
Release date:2008-03-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Insights into the Protease-like Antigen Plasmodium falciparum SERA5 and Its Noncanonical Active-Site Serine
J.Mol.Biol., 392, 2009
8OZA
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BU of 8oza by Molmil
Human cathepsin L in complex with covalently bound CA-074 methyl ester
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Cathepsin L, ...
Authors:Falke, S, Lieske, J, Guenther, S, Ewert, W, Reinke, P.Y.A, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
Deposit date:2023-05-08
Release date:2023-07-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
3F5V
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BU of 3f5v by Molmil
C2 Crystal form of mite allergen DER P 1
Descriptor: CALCIUM ION, Der p 1 allergen, HEXAETHYLENE GLYCOL
Authors:Stura, E.A, Minor, W, Chruszcz, M, Saint Remy, J.M.
Deposit date:2008-11-04
Release date:2009-02-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Crystal structures of mite allergens Der f 1 and Der p 1 reveal differences in surface-exposed residues that may influence antibody binding.
J.Mol.Biol., 386, 2009
3CH3
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BU of 3ch3 by Molmil
Crystal Structure Analysis of SERA5E from plasmodium falciparum
Descriptor: DIHYDROGENPHOSPHATE ION, POTASSIUM ION, Serine-repeat antigen protein
Authors:Smith, B.J, Malby, R.L, Colman, P.M, Clarke, O.B.
Deposit date:2008-03-07
Release date:2008-03-25
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural Insights into the Protease-like Antigen Plasmodium falciparum SERA5 and Its Noncanonical Active-Site Serine
J.Mol.Biol., 392, 2009
8PI3
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BU of 8pi3 by Molmil
Cathepsin S Y132D mutant in complex with NNPI-C10 inhibitor
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CADMIUM ION, ...
Authors:Petruzzella, A, Lau, K, Pojer, F, Oricchio, E.
Deposit date:2023-06-21
Release date:2024-06-05
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Antibody-peptide conjugates deliver covalent inhibitors blocking oncogenic cathepsins.
Nat.Chem.Biol., 20, 2024
1XKG
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BU of 1xkg by Molmil
Crystal structure of the major house dust mite allergen Der p 1 in its pro form at 1.61 A resolution
Descriptor: GLYCEROL, Major mite fecal allergen Der p 1, SULFATE ION, ...
Authors:Meno, K, Thorsted, P.B, Gajhede, M.
Deposit date:2004-09-29
Release date:2005-06-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:The crystal structure of recombinant proDer p 1, a major house dust mite proteolytic allergen.
J.Immunol., 175, 2005
8QKB
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BU of 8qkb by Molmil
Crystal structure of human cathepsin L in complex with the vinyl sulfone inhibitor K777
Descriptor: 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
Authors:Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
Deposit date:2023-09-14
Release date:2023-09-27
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
1YT7
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BU of 1yt7 by Molmil
Cathepsin K complexed with a constrained ketoamide inhibitor
Descriptor: (1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOL-2-YL}METHYL)PROPYL (1S)-1-{OXO[(2-OXO-1,3-OXAZOLIDIN-3-YL)AMINO]ACETYL}PENTYLCARBAMATE, Cathepsin K, SULFATE ION
Authors:Barrett, D.G, Boncek, V.M, Catalano, J.G, Deaton, D.N, Hassell, A.M, Jurgensen, C.H, Long, S.T, McFadyen, R.B, Miller, A.B, Miller, L.R, Payne, J.A, Ray, J.A, Samano, V, Shewchuk, L.M, Tavares, F.X, Wells-Knecht, K.J, Willard, D.H, Wright, L.L, Zhou, H.Q.
Deposit date:2005-02-10
Release date:2005-07-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:P(2)-P(3) conformationally constrained ketoamide-based inhibitors of cathepsin K.
Bioorg.Med.Chem.Lett., 15, 2005
1YAL
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BU of 1yal by Molmil
CARICA PAPAYA CHYMOPAPAIN AT 1.7 ANGSTROMS RESOLUTION
Descriptor: CHYMOPAPAIN
Authors:Maes, D, Bouckaert, J, Poortmans, F, Wyns, L, Looze, Y.
Deposit date:1996-06-20
Release date:1996-12-23
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of chymopapain at 1.7 A resolution.
Biochemistry, 35, 1996
5TUN
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Crystal structure of uninhibited human Cathepsin K at 1.62 Angstrom resolution
Descriptor: Cathepsin K
Authors:Aguda, A.H, Kruglyak, N, Nguyen, N.T, Law, S, Bromme, D, Brayer, G.D.
Deposit date:2016-11-06
Release date:2017-01-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Identification of mouse cathepsin K structural elements that regulate the potency of odanacatib.
Biochem. J., 474, 2017

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