Structure for peptidase C01.036: cathepsin K

Summary Gene structure Alignment Tree Sequences Sequence features Distribution Structure Literature Substrates Pharma

PDB	Organism	Resolution	Comment
1ATK	Homo sapiens	2.20 Å	complex with E64
Catalytic residues are shown in ball-and-stick representation: Cys133 in yellow, His276 in purple and Asn296 in pink. E-64 is shown in grey in ball-and-stick representation.

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TERTIARY STRUCTURE DATA
Comment	Resolution	PDB	PDBe	SCOP	CATH	PDBSum	Proteopedia	Reference
Homo sapiens
complex with E64	2.20 Å	1ATK	1ATK	1ATK	1ATK	1ATK	1ATK	Zhao et al., 1997
complex with a covalent symmetric diacylaminomethyl ketone inhibitor	2.60 Å	1AU0	1AU0	1AU0	1AU0	1AU0	1AU0
complex with a covant propanone inhibitor	2.60 Å	1AU2	1AU2	1AU2	1AU2	1AU2	1AU2
complex with 1-[N[(phenylmethoxy)carbonyl]-l-leucyl-4-[[N/N-[(phenylmethoxy)carbonyl]-/NL-leucyl]amino]-3-pyrrolidinone	2.50 Å	1AU3	1AU3	1AU3	1AU3	1AU3	1AU3	Marquis et al., 1998
complex with 4-[[N-[(phenylmethoxy)carbonyl]-L-leucyl]amino]-1[(2S)-2-[[[4-(pyridinylmethoxy)carbonyl]amino]-4-methylpentyl]-3-pyrrolidinone	2.30 Å	1AU4	1AU4	1AU4	1AU4	1AU4	1AU4	Marquis et al., 1998
complex with 1,5-bis(N-benzyloxycarbonyl-L-leucinyl)carbohydrazide	2.20 Å	1AYU	1AYU	1AYU	1AYU	1AYU	1AYU	Thompson et al., 1997
complex with N-[2-[1-(N-benzyloxycarbonylamino)-3-methylbutyl]thiazol-4-ylcarbonyl]-N'-(benzyloxycarbonyl-L-leucinyl)hydrazide	2.30 Å	1AYV	1AYV	1AYV	1AYV	1AYV	1AYV	Thompson et al., 1997
complex with 1-(N-benzyloxycarbonyl-L-leucinyl)-5-(3-benzyloxy benzoyl)carbohydrazide	2.40 Å	1AYW	1AYW	1AYW	1AYW	1AYW	1AYW	Thompson et al., 1997
complex with covalent peptidomimetic inhibitor 1-[2-(3-bipheyl)-4-methylvaleryl)]-amino-3-(2-pyridylsulfonyl)amino-2-propanone	2.30 Å	1BGO	1BGO	1BGO	1BGO	1BGO	1BGO	DesJarlais et al., 1998
precursor	2.60 Å	1BY8	1BY8	1BY8	1BY8	1BY8	1BY8	LaLonde et al., 1999
Ser149Ala mutant; complex with vinyl sulfone inhibitor	1.80 Å	1MEM	1MEM	1MEM	1MEM	1MEM	1MEM	McGrath et al., 1997
complex with covalent azepanone 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-ylcarbamoylbutyl)amide	2.80 Å	1NL6	1NL6	1NL6	1NL6	1NL6	1NL6	Marquis et al., 2001
complex with covalent azepanone benzofuran-2-carboxylic acid (S)-3-methyl-1-[3-oxo-1-(pyridin-2-ylsulfonyl)azepan-4-ylcarbamoyl]butylamide	2.40 Å	1NLJ	1NLJ	1NLJ	1NLJ	1NLJ	1NLJ	Marquis et al., 2001
complex with T-butyl(1S)-1-cyclohexyl-2- oxoethylcarbamate	2.10 Å	1Q6K	1Q6K	1Q6K	1Q6K	1Q6K	1Q6K	Catalano et al., 2004
complex with N2-([(4-bromophenyl)methyl]oxycarbonyl)-N1-[(1S)-1-formylpentyl]-L-leucinamide	2.40 Å	1SNK	1SNK	1SNK	1SNK	1SNK	1SNK	Boros et al., 2004
complex with ketoamide inhibitor [1-(4-fluorobenzyl)cyclobutyl]methyl (1S)-1-[oxo(1h-pyrazol-5-ylamino)acetyl]pentylcarbamate	1.75 Å	1TU6	1TU6	1TU6	1TU6	1TU6	1TU6	Barrett et al., 2004
complex with the covalent inhibitor NVP-ABE854	2.20 Å	1U9V	1U9V	1U9V	1U9V	1U9V	1U9V	Altmann et al., 2004
complex with the covalent inhibitor NVP-ABI491	2.30 Å	1U9W	1U9W	1U9W	1U9W	1U9W	1U9W	Altmann et al., 2004
complex with the covalent inhibitor NVP-ABJ688	2.10 Å	1U9X	1U9X	1U9X	1U9X	1U9X	1U9X	Altmann et al., 2004
complex with N-(2-aminoethyl)-N~2~-(1S)-1-[4'-(aminosulfonyl)biphenyl-4-yl]-2,2,2-trifluoroethyl-L-leucinamide	2.00 Å	1VSN	1VSN	1VSN	1VSN	1VSN	1VSN	Li et al., 2006
complex with cyanopyrrolidine inhibitor N2-[(benzyloxy)carbonyl]-N1-[(3S)-1-cyanopyrrolidin-3-yl]-L-leucinamide	2.50 Å	1YK7	1YK7	1YK7	1YK7	1YK7	1YK7	Deaton et al., 2005
complex with cyanamide-based inhibitor tert-butyl 2-cyano-2-methylhydrazinecarboxylate	2.60 Å	1YK8	1YK8	1YK8	1YK8	1YK8	1YK8	Barrett et al., 2005
complex with (1R)-2,2-dimethyl-1-(5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-ylmethyl)propyl (1S)-1-oxo[(2-oxo-1,3-oxazolidin-3-yl)amino]acetylpentylcarbamate	2.30 Å	1YT7	1YT7	1YT7	1YT7	1YT7	1YT7	Barrett et al., 2005
complex with myocrisin	2.00 Å	2ATO	2ATO	2ATO	2ATO	2ATO	2ATO	Weidauer et al., 2007
complex with semicarbazone inhibitor (1R)-2-methyl-1-(phenylmethyl)propyl[(1S)-1-formylpentyl]carbamate	2.40 Å	2AUX	2AUX	2AUX	2AUX	2AUX	2AUX	Adkison et al., 2006
complex with semicarbazone inhibitor 1-(phenylmethyl)cyclopentyl[(1S)-1-formylpentyl]carbamate	2.30 Å	2AUZ	2AUZ	2AUZ	2AUZ	2AUZ	2AUZ	Adkison et al., 2006
complex with (3S)-1-[(3,5-dimethylisoxazol-4-yl)amino]carbonyl-4,4-dimethylpyrrolidin-3-yl(1s)-1-[1-hydroxy-2-oxo-2-[(1R)-1-phenylethyl]aminoethyl]pentylcarbamate	2.00 Å	2BDL	2BDL	2BDL	2BDL	2BDL	2BDL	Barrett et al., 2006
complex with a pyrrolopyrimidine inhibitor	1.95 Å	2R6N	2R6N	2R6N	2R6N	2R6N	2R6N	Teno et al., 2007
complex with chondroitin sulfate	1.80 Å	3C9E	3C9E	3C9E	3C9E	3C9E	3C9E	Li et al., 2008
variant M5; complex with chondroitin-4-sulfate	2.24 Å	3H7D	3H7D	3H7D	3H7D	3H7D	3H7D
complex with a triazine ligand	1.80 Å	3KW9	3KW9	3KW9	3KW9	3KW9	3KW9
complex with a dioxo-triazine inhibitor	2.02 Å	3KWB	3KWB	3KWB	3KWB	3KWB	3KWB
complex with a non-selective 2-cyano-pyrimidine inhibitor	1.49 Å	3KWZ	3KWZ	3KWZ	3KWZ	3KWZ	3KWZ
complex with a selective 2-cyano-pyrimidine inhibitor	1.51 Å	3KX1	3KX1	3KX1	3KX1	3KX1	3KX1
complex with a cyano-pyrimidine inhibitor	1.80 Å	3O0U	3O0U	3O0U	3O0U	3O0U	3O0U
complex with a 2-cyano pyrimidine inhibitor with a benzyl p3 group.	1.65 Å	3O1G	3O1G	3O1G	3O1G	3O1G	3O1G
complex with a covalent inhibitor with a ketoamide warhead	2.02 Å	3OVZ	3OVZ	3OVZ	3OVZ	3OVZ	3OVZ
cathepsin k inhibitor	1.70 Å	4DMX	4DMX	4DMX	4DMX	4DMX	4DMX
cathepsin k inhibitor	1.63 Å	4DMY	4DMY	4DMY	4DMY	4DMY	4DMY
complex with dermatan sulfate	2.62 Å	4N79	4N79	4N79	4N79	4N79	4N79
complex with chondroitin sulfate	2.02 Å	4N8W	4N8W	4N8W	4N8W	4N8W	4N8W
development of n-(functionalized benzoyl)-homocycloleucyl- glycinonitriles as potent cathepsin k inhibitors.	1.00 Å	4X6H	4X6H	4X6H	4X6H	4X6H	4X6H
development of n-(functionalized benzoyl)-homocycloleucyl- glycinonitriles as potent cathepsin k inhibitors.	1.87 Å	4X6I	4X6I	4X6I	4X6I	4X6I	4X6I
development of n-(functionalized benzoyl)-homocycloleucyl- glycinonitriles as potent cathepsin k inhibitors.	1.59 Å	4X6J	4X6J	4X6J	4X6J	4X6J	4X6J
complex with lichostatinal	2.00 Å	4YV8	4YV8	4YV8	4YV8	4YV8	4YV8
co-crystallized with actinomycetes extract	1.80 Å	4YVA	4YVA	4YVA	4YVA	4YVA	4YVA
Cys25Ser mutant; complex with the allosteric effector nsc13345	2.22 Å	5J94	5J94	5J94	5J94	5J94	5J94
Cys25Ser mutant; complex with the allosteric effector nsc94914	1.61 Å	5JA7	5JA7	5JA7	5JA7	5JA7	5JA7
Cys25Ser mutant	1.75 Å	5JH3	5JH3	5JH3	5JH3	5JH3	5JH3
complex with a covalently-linked inhibitor	1.40 Å	5TDI	5TDI	5TDI	5TDI	5TDI	5TDI
mature peptidase	1.62 Å	5TUN	5TUN	5TUN	5TUN	5TUN	5TUN
pycnonodysostosis disease related Ile249Thr mutant	1.92 Å	5Z5O	5Z5O	5Z5O	5Z5O	5Z5O	5Z5O
complex with a non-active site inhibitor	1.42 Å	6ASH	6ASH	6ASH	6ASH	6ASH	6ASH
complex with n-desmethyl thalassospiramide c	2.20 Å	6HGY	6HGY	6HGY	6HGY	6HGY	6HGY
complex with an alkyne moiety	1.70 Å	6QBS	6QBS	6QBS	6QBS	6QBS	6QBS
mature peptidase	3.20 Å	7PCK	7PCK	7PCK	7PCK	7PCK	7PCK	Sivaraman et al., 1999
Mus musculus
mature peptidase	2.90 Å	5T6U	5T6U	5T6U	5T6U	5T6U	5T6U
Thr101Ala variant	2.94 Å	6BKI	6BKI	6BKI	6BKI	6BKI	6BKI