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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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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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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4BSQ
 | | MOUSE CATHEPSIN S WITH COVALENT LIGAND | | Descriptor: | (1R,2R,4R)-N-(2-azanylideneethyl)-2-morpholin-4-ylcarbonyl-4-(phenylsulfonyl)cyclopentane-1-carboxamide, CATHEPSIN S, SULFATE ION | | Authors: | Banner, D.W, Benz, J, Gsell, B, Stihle, M, Ruf, A, Hilpert, H. | | Deposit date: | 2013-06-11 | | Release date: | 2013-11-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Identification of Potent and Selective Cathepsin S (Cats) Inhibitors Containing Different Central Cyclic Scaffolds.
J.Med.Chem., 56, 2013
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6OKJ
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6P4E
 | | Leishmania mexicana CPB in complex with an aza-nitrile inhibitor | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-tert-butyl-N-[(2S)-1-(2-cyano-1,2-dimethylhydrazinyl)-4-methyl-1-oxopentan-2-yl]-1-methyl-1H-pyrazole-5-carboxamide (non-preferred name), ... | | Authors: | Ribeiro, J.F.R, Li, C, De Vita, D, Emsley, J, Montanari, C.A. | | Deposit date: | 2019-05-27 | | Release date: | 2020-06-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | High Resolution X-Ray Crystal Structures of LmCPB2.8 Co-Crystalized with Dipeptidyl Aza-nitrile Inhibitor and Structure Activity Relationships
To Be Published
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6PAD
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6PXF
 | | Structure of human Cathepsin K with an ectosteric inhibitor at 1.85 Angstrom resolution | | Descriptor: | 1,6,6-trimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-2-sulfonic acid, Cathepsin K | | Authors: | Law, S, Aguda, A.H, Nguyen, N.T, Brayer, G.D, Bromme, D. | | Deposit date: | 2019-07-25 | | Release date: | 2020-07-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure of human Cathepsin K with an ectosteric inhibitor at 1.85 Angstrom resolution
To Be Published
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6QBS
 | | The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K | | Descriptor: | (2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Mons, E, Jansen, I.D.C, Loboda, J, van Doodewaerd, B.R, Verdoes, M, van Boeckel, C.A.A, van Veelen, P.A, Turk, B, Turk, D, Hermans, J, Ovaa, H. | | Deposit date: | 2018-12-21 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K.
J. Am. Chem. Soc., 141, 2019
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6QL8
 | | Cathepsin-K in complex with MIV-711 | | Descriptor: | Cathepsin K, NITRATE ION, ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-ethynyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide | | Authors: | Derbyshire, D.J. | | Deposit date: | 2019-01-31 | | Release date: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K.
To Be Published
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6QLM
 | | Cathepsin-K in complex with MIV-701 | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Cathepsin K, GLYCEROL, ... | | Authors: | Derbyshire, D.J. | | Deposit date: | 2019-02-01 | | Release date: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K.
To Be Published
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6QM0
 | | Cathepsin-K in complex with amino-oxaazabicyclo[3.3.0]octanyl containing inhibitor | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Cathepsin K, ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-azanyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-fluoranyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide | | Authors: | Derbyshire, D.J. | | Deposit date: | 2019-02-01 | | Release date: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K.
To Be Published
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6QLX
 | | Cathepsin-K in complex with fluoro-oxa-azabicyclo[3.3.0]octanyl containing inhibitor | | Descriptor: | Cathepsin K, ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{S},6~{a}~{S})-6-fluoranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-thiophen-2-yl-benzamide | | Authors: | Derbyshire, D.J. | | Deposit date: | 2019-02-01 | | Release date: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K.
To Be Published
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6QLW
 | | Cathepsin-K in complex with MIV-710 | | Descriptor: | CHLORIDE ION, Cathepsin K, SODIUM ION, ... | | Authors: | Derbyshire, D.J. | | Deposit date: | 2019-02-01 | | Release date: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K.
To Be Published
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1SNK
 | | Cathepsin K complexed with carbamate derivatized norleucine aldehyde | | Descriptor: | Cathepsin K, N2-({[(4-BROMOPHENYL)METHYL]OXY}CARBONYL)-N1-[(1S)-1-FORMYLPENTYL]-L-LEUCINAMIDE, SULFATE ION | | Authors: | Boros, E.E, Deaton, D.N, Hassell, A.M, McFadyen, R.B, Miller, A.B, Miller, L.R, Shewchuk, L.M, Thompson, J.B, Willard Jr, D.H, Wright, L.L. | | Deposit date: | 2004-03-11 | | Release date: | 2004-06-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Exploration of the P(2)-P(3) SAR of aldehyde cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 14, 2004
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1U9W
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1U9Q
 | | Crystal structure of cruzain bound to an alpha-ketoester | | Descriptor: | [1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER, cruzipain | | Authors: | Lange, M, Weston, S.G, Cheng, H, Culliane, M, Fiorey, M.M, Grisostomi, C, Hardy, L.W, Hartstough, D.S, Pallai, P.V, Tilton, R.F, Baldino, C.M, Brinen, L.S, Engel, J.C, Choe, Y, Price, M.S, Craik, C.S. | | Deposit date: | 2004-08-10 | | Release date: | 2005-03-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Development of alpha-keto-based inhibitors of cruzain, a cysteine protease implicated in Chagas disease
Bioorg.Med.Chem., 13, 2005
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3F5V
 | | 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
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1S4V
 | | The 2.0 A crystal structure of the KDEL-tailed cysteine endopeptidase functioning in programmed cell death of Ricinus communis endosperm | | Descriptor: | DVA-LEU-LYS-0QE peptide, SULFATE ION, cysteine endopeptidase | | Authors: | Than, M.E, Helm, M, Simpson, D.J, Lottspeich, F, Huber, R, Gietl, C. | | Deposit date: | 2004-01-19 | | Release date: | 2004-03-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The 2.0 A crystal structure and substrate specificity of the KDEL-tailed cysteine endopeptidase functioning in programmed cell death of Ricinus communis endosperm.
J.Mol.Biol., 336, 2004
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1U9V
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1TU6
 | | Cathepsin K complexed with a ketoamide inhibitor | | Descriptor: | Cathepsin K, SULFATE ION, [1-(4-FLUOROBENZYL)CYCLOBUTYL]METHYL (1S)-1-[OXO(1H-PYRAZOL-5-YLAMINO)ACETYL]PENTYLCARBAMATE | | Authors: | Barrett, D.G, Catalano, J.G, Deaton, D.N, Hassell, A.M, Long, S.T, Miller, A.B, Miller, L.R, Shewchuk, L.M, Wells-Knecht, K.J, Wright, L.L. | | Deposit date: | 2004-06-24 | | Release date: | 2004-09-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Potent and selective P2-P3 ketoamide inhibitors of cathepsin K with improved pharmacokinetic properties via favorable P1', P1, and/or P3 substitutions
BIOORG.MED.CHEM.LETT., 14, 2004
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2PAD
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1U9X
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