2XU1
 
 | | CATHEPSIN L WITH A NITRILE INHIBITOR | | Descriptor: | (2S,4R)-1-[1-(4-chlorophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide, CATHEPSIN L1 | | Authors: | Banner, D.W, Benz, J.M, Steinbacher, S, Haap, W. | | Deposit date: | 2010-10-14 | | Release date: | 2011-01-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Systematic Investigation of Halogen Bonding in Protein-Ligand Interactions.
Angew.Chem.Int.Ed.Engl., 50, 2011
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2XU5
 | | CATHEPSIN L WITH A NITRILE INHIBITOR | | Descriptor: | (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-(4-methylphenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide, CATHEPSIN L1, CITRATE ANION, ... | | Authors: | Banner, D.W, Benz, J.M, Haap, W. | | Deposit date: | 2010-10-14 | | Release date: | 2011-01-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Systematic Investigation of Halogen Bonding in Protein-Ligand Interactions.
Angew.Chem.Int.Ed.Engl., 50, 2011
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6YCC
 | | Structure the ananain protease from Ananas comosus covalently bound to the E64 inhibitor | | Descriptor: | Ananain, GLYCEROL, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, ... | | Authors: | Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F. | | Deposit date: | 2020-03-18 | | Release date: | 2020-11-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity.
Sci Rep, 10, 2020
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6YI7
 | | Structure of cathepsin B1 from Schistosoma mansoni (SmCB1) in complex with an azanitrile inhibitor | | Descriptor: | 1-[(2~{S})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea, ACETATE ION, Cathepsin B-like peptidase (C01 family) | | Authors: | Jilkova, A, Rezacova, P, Pachl, P, Fanfrlik, J, Rubesova, P, Guetschow, M, Mares, M. | | Deposit date: | 2020-04-01 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Azanitrile Inhibitors of the SmCB1 Protease Target Are Lethal to Schistosoma mansoni : Structural and Mechanistic Insights into Chemotype Reactivity.
Acs Infect Dis., 7, 2021
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6YYO
 | | Structure of Cathepsin S in complex with Compound 1 | | Descriptor: | 1,2-ETHANEDIOL, 6-(4-methylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine, CITRATE ANION, ... | | Authors: | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | | Deposit date: | 2020-05-05 | | Release date: | 2021-05-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
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6YYN
 | | Structure of Cathepsin S in complex with Compound 14 | | Descriptor: | CITRATE ANION, Cathepsin S, SULFATE ION, ... | | Authors: | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | | Deposit date: | 2020-05-05 | | Release date: | 2021-05-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
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6YYQ
 | | Structure of Cathepsin S in complex with Compound 3 | | Descriptor: | (6~{R})-2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine, Cathepsin S | | Authors: | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | | Deposit date: | 2020-05-05 | | Release date: | 2021-05-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
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6YYR
 | | Structure of Cathepsin S in complex with Compound 20b | | Descriptor: | (2~{R})-~{N}-(2-azanylideneethyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethanoylamino]-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-propanamide, 1,2-ETHANEDIOL, CITRATE ANION, ... | | Authors: | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | | Deposit date: | 2020-05-05 | | Release date: | 2021-05-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
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6YYP
 | | Structure of Cathepsin S in complex with Compound 2 | | Descriptor: | 1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-amine, ACETATE ION, Cathepsin S, ... | | Authors: | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | | Deposit date: | 2020-05-05 | | Release date: | 2021-05-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
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6ZQ3
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5T6U
 | | Crystal structure of mouse cathepsin K at 2.9 Angstroms resolution. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin K, SULFATE ION | | Authors: | Law, S, Aguda, A, Nguyen, N, Brayer, G, Bromme, D. | | Deposit date: | 2016-09-01 | | Release date: | 2017-01-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Identification of mouse cathepsin K structural elements that regulate the potency of odanacatib.
Biochem. J., 474, 2017
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5TDI
 | | Crystal structure of Cathepsin K with a covalently-linked inhibitor at 1.4 Angstrom resolution. | | Descriptor: | 4-fluoro-N-{1-[(Z)-iminomethyl]cyclopropyl}-N~2~-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]ethyl }-L-leucinamide, Cathepsin K | | Authors: | Law, S, Aguda, A, Nguyen, N, Brayer, G, Bromme, D. | | Deposit date: | 2016-09-19 | | Release date: | 2017-01-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Identification of mouse cathepsin K structural elements that regulate the potency of odanacatib.
Biochem. J., 474, 2017
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8HET
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8HEI
 | | Crystal structure of CTSB in complex with E64d | | Descriptor: | Cathepsin B, GLYCEROL, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate | | Authors: | Wang, H, Li, D, Sun, L, Yang, H. | | Deposit date: | 2022-11-08 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of CTSB in complex with E64d
To Be Published
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8HE9
 | | Crystal structure of CTSB in complex with K777 | | Descriptor: | Cathepsin B, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Wang, H, Li, D, Sun, L, Yang, H. | | Deposit date: | 2022-11-07 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of CTSB in complex with K777
To Be Published
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8HFV
 | | Crystal structure of CTSL in complex with K777 | | Descriptor: | CACODYLATE ION, Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide, Procathepsin L, ... | | Authors: | Wang, H, Shao, M, Sun, L, Yang, H. | | Deposit date: | 2022-11-12 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of CTSL in complex with K777
To Be Published
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8HEN
 | | Crystal structure of CTSB in complex with 212-148 | | Descriptor: | 2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate, Cathepsin B, DIMETHYL SULFOXIDE, ... | | Authors: | Wang, H, Li, D, Sun, L, Yang, H. | | Deposit date: | 2022-11-08 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of CTSB in complex with 212-148
To Be Published
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5TUN
 | | 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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8IUI
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5VCO
 | | THE CRYSTAL STRUCTURE OF DER P 1 ALLERGEN COMPLEXED WITH FAB FRAGMENT OF MAB 10B9 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, HEAVY CHAIN OF FAB FRAGMENT OF 10B9 ANTIBODY, ... | | Authors: | Osinski, T, Majorek, K.A, Pomes, A, Offermann, L.R, Osinski, S, Glesner, J, Vailes, L.D, Chapman, M.D, Minor, W, Chruszcz, M. | | Deposit date: | 2017-03-31 | | Release date: | 2017-04-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Structural Analysis of Der p 1-Antibody Complexes and Comparison with Complexes of Proteins or Peptides with Monoclonal Antibodies.
J. Immunol., 195, 2015
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5VPH
 | | CRYSTAL STRUCTURE OF DER P 1 COMPLEXED WITH FAB 4C1 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Der p 1 allergen, ... | | Authors: | Chruszcz, M, Vailes, L.D, Chapman, M.D, Pomes, A, Minor, W. | | Deposit date: | 2017-05-05 | | Release date: | 2017-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular Determinants For Antibody Binding On Group 1 House Dust Mite Allergens.
J.Biol.Chem., 287, 2012
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5VCN
 | | THE CRYSTAL STRUCTURE OF DER P 1 ALLERGEN COMPLEXED WITH FAB FRAGMENT OF MAB 5H8 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Osinski, T, Majorek, K.A, Pomes, A, Offermann, L.R, Osinski, S, Glesner, J, Vailes, L.D, Chapman, M.D, Minor, W, Chruszcz, M. | | Deposit date: | 2017-03-31 | | Release date: | 2017-04-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Analysis of Der p 1-Antibody Complexes and Comparison with Complexes of Proteins or Peptides with Monoclonal Antibodies.
J. Immunol., 195, 2015
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5VPK
 | | CRYSTAL STRUCTURE OF MITE ALLERGEN DER F 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Der f 1 variant, SULFATE ION | | Authors: | Chruszcz, M, Chapman, M.D, Vailes, L.D, Pomes, A, Minor, W. | | Deposit date: | 2017-05-05 | | Release date: | 2017-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 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
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5VPG
 | | CRYSTAL STRUCTURE OF DER P 1 COMPLEXED WITH FAB 4C1 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Chruszcz, M, Vailes, L.D, Chapman, M.D, Pomes, A, Minor, W. | | Deposit date: | 2017-05-05 | | Release date: | 2017-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Molecular Determinants For Antibody Binding On Group 1 House Dust Mite Allergens.
J.Biol.Chem., 287, 2012
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4PAD
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