UniProt P43235
Cathepsin K (P43235)
Cathepsin K (UniProt P43235), EC 3.4.22.38: 117 experimental structures and 1 predicted model on GenesisL1, 21 ligands bound. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P43235
- Protein
- Cathepsin K
- EC
- 3.4.22.38
- Experimental structures
- 117
- Predicted models
- 1
- Ligands
- 21
Structures
118 records of P43235 in the MolNFT archive: 117 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1ATK | Crystal structure of the cysteine protease human cathepsin K in complex with the covalent inhibitor… | x-ray diffraction | A | — | — |
| 1ATK | Crystal structure of the cysteine protease human cathepsin K in complex with the covalent inhibitor… | x-ray diffraction | A | — | — |
| 1AU0 | Crystal structure of the cysteine protease human cathepsin K in complex with a covalent symmetric… | x-ray diffraction | A | — | — |
| 1AU0 | Crystal structure of the cysteine protease human cathepsin K in complex with a covalent symmetric… | x-ray diffraction | A | — | — |
| 1AU2 | Crystal structure of the cysteine protease human cathepsin K in complex with a covalent propanone… | x-ray diffraction | A | — | — |
| 1AU2 | Crystal structure of the cysteine protease human cathepsin K in complex with a covalent propanone… | x-ray diffraction | A | — | — |
| 1AU3 | Crystal structure of the cysteine protease human cathepsin K in complex with a covalent… | x-ray diffraction | A | — | — |
| 1AU3 | Crystal structure of the cysteine protease human cathepsin K in complex with a covalent… | x-ray diffraction | A | — | — |
| 1AU4 | Crystal structure of the cysteine protease human cathepsin K in complex with a covalent… | x-ray diffraction | A | — | — |
| 1AU4 | Crystal structure of the cysteine protease human cathepsin K in complex with a covalent… | x-ray diffraction | A | — | — |
| 1AYU | Crystal structure of cysteine protease human cathepsin K in complex with a covalent symmetric… | x-ray diffraction | A | — | — |
| 1AYU | Crystal structure of cysteine protease human cathepsin K in complex with a covalent symmetric… | x-ray diffraction | A | — | — |
| 1AYV | Crystal structure of cysteine protease human cathepsin K in complex with a covalent… | x-ray diffraction | A | — | — |
| 1AYV | Crystal structure of cysteine protease human cathepsin K in complex with a covalent… | x-ray diffraction | A | — | — |
| 1AYW | Crystal structure of cysteine protease human cathepsin K in complex with a covalent… | x-ray diffraction | A | — | — |
| 1AYW | Crystal structure of cysteine protease human cathepsin K in complex with a covalent… | x-ray diffraction | A | — | — |
| 1BGO | Crystal structure of cysteine protease human cathepsin K in complex with a covalent peptidomimetic… | x-ray diffraction | A | — | — |
| 1BGO | Crystal structure of cysteine protease human cathepsin K in complex with a covalent peptidomimetic… | x-ray diffraction | A | — | — |
| 1BY8 | The crystal structure of human procathepsin K | x-ray diffraction | A | — | — |
| 1BY8 | The crystal structure of human procathepsin K | x-ray diffraction | A | — | — |
| 1MEM | Crystal structure of Cathepsin K complexed with a potent vinyl sulfone inhibitor | x-ray diffraction | A | — | — |
| 1MEM | Crystal structure of cathepsin K complexed with a potent vinyl sulfone inhibitor | x-ray diffraction | A | — | — |
| 1NL6 | Crystal Structure Of The Cysteine Protease Human Cathepsin K In Complex With A Covalent Azepa… | x-ray diffraction | A, B | — | — |
| 1NL6 | Crystal structure of the cysteine protease human cathepsin K in complex with a covalent azepanone… | x-ray diffraction | A, B | — | — |
| 1NLJ | Crystal structure of the cysteine protease human cathepsin K in complex with a covalent azepanone… | x-ray diffraction | A, B | — | — |
| 1NLJ | Crystal structure of the cysteine protease human cathepsin K in complex with a covalent azepanone… | x-ray diffraction | A, B | — | — |
| 1Q6K | Cathepsin K complexed with t-butyl(1S)-1-cyclohexyl-2-oxoethylcarbamate | x-ray diffraction | A | — | — |
| 1Q6K | Cathepsin K complexed with T-BUTYL(1S)-1-cyclohexyl-2- oxoethylcarbamate | x-ray diffraction | A | — | — |
| 1SNK | Cathepsin K complexed with carbamate derivatized norleucine aldehyde | x-ray diffraction | A | — | — |
| 1SNK | Cathepsin K complexed with carbamate derivatized norleucine aldehyde | x-ray diffraction | A | — | — |
| 1TU6 | Cathepsin K complexed with a ketoamide inhibitor | x-ray diffraction | A, B | — | — |
| 1TU6 | Cathepsin K complexed with a ketoamide inhibitor | x-ray diffraction | A, B | — | — |
| 1U9V | Crystal Structure of the Cysteine Protease Human Cathepsin K in Complex with the Covalent Inhibitor… | x-ray diffraction | A | — | — |
| 1U9V | Crystal structure of the cysteine protease human cathepsin K in complex with the covalent inhibitor… | x-ray diffraction | A | — | — |
| 1U9W | Crystal Structure of the Cysteine Protease Human Cathepsin K in Complex with the Covalent Inhibitor… | x-ray diffraction | A | — | — |
| 1U9W | Crystal structure of the cysteine protease human cathepsin K in complex with the covalent inhibitor… | x-ray diffraction | A | — | — |
| 1U9X | Crystal Structure of the Cysteine Protease Human Cathepsin K in Complex with the Covalent Inhibitor… | x-ray diffraction | A | — | — |
| 1U9X | Crystal structure of the cysteine protease human cathepsin K in complex with the covalent inhibitor… | x-ray diffraction | A | — | — |
| 1VSN | Crystal structure of a potent small molecule inhibitor bound to cathepsin K | x-ray diffraction | A | — | — |
| 1VSN | Crystal structure of a potent small molecule inhibitor bound to cathepsin K | x-ray diffraction | A | — | — |
| 1YK7 | Cathepsin K complexed with a cyanopyrrolidine inhibitor | x-ray diffraction | A | — | — |
| 1YK7 | Cathepsin K complexed with a cyanopyrrolidine inhibitor | x-ray diffraction | A | — | — |
| 1YK8 | Cathepsin K complexed with a cyanamide-based inhibitor | x-ray diffraction | A | — | — |
| 1YK8 | Cathepsin K complexed with a cyanamide-based inhibitor | x-ray diffraction | A | — | — |
| 1YT7 | Cathepsin K complexed with a constrained ketoamide inhibitor | x-ray diffraction | A | — | — |
| 1YT7 | Cathepsin K complexed with a constrained ketoamide inhibitor | x-ray diffraction | A | — | — |
| 2ATO | Crystal structure of Human Cathepsin K in complex with myocrisin | x-ray diffraction | A | — | — |
| 2ATO | Crystal structure of human cathepsin K in complex with myocrisin | x-ray diffraction | A | — | — |
| 2AUX | Cathepsin K complexed with a semicarbazone inhibitor | x-ray diffraction | A | — | — |
| 2AUX | Cathepsin K complexed with a semicarbazone inhibitor | x-ray diffraction | A | — | — |
| 2AUZ | Cathepsin K complexed with a semicarbazone inhibitor | x-ray diffraction | A | — | — |
| 2AUZ | Cathepsin K complexed with a semicarbazone inhibitor | x-ray diffraction | A | — | — |
| 2BDL | Cathepsin K complexed with a pyrrolidine ketoamide-based inhibitor | x-ray diffraction | A | — | — |
| 2BDL | Cathepsin K complexed with a pyrrolidine ketoamide-based inhibitor | x-ray diffraction | A | — | — |
| 2R6N | Crystal structure of a pyrrolopyrimidine inhibitor in complex with human Cathepsin K | x-ray diffraction | A | — | — |
| 2R6N | Crystal structure of a pyrrolopyrimidine inhibitor in complex with human cathepsin K | x-ray diffraction | A | — | — |
| 3C9E | Crystal structure of the cathepsin K : chondroitin sulfate complex. | x-ray diffraction | A | — | — |
| 3C9E | Crystal structure of the cathepsin K : chondroitin sulfate complex. | x-ray diffraction | A | — | — |
| 3H7D | The crystal structure of the cathepsin K Variant M5 in complex with chondroitin-4-sulfate | x-ray diffraction | A, E | — | — |
| 3H7D | The crystal structure of the cathepsin K variant M5 in complex with chondroitin-4-sulfate | x-ray diffraction | A, E | — | — |
58 records more on the page itself.
Ligands
- CL · Chloride ion · in 6 records
- NA · Sodium ion · in 4 records
- SO4 · Sulfate ion · in 4 records
- A0U · ~{tert}-butyl ~{N}-[iminomethyl-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]amino]carbamate · in 3 records
- 9ZG · (phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl) amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate · in 2 records
- G4B · Thalassospiramide C · in 2 records
- MG · Magnesium ion · in 2 records
- MHA · (carbamoylmethyl-carboxymethyl-amino)-acetic acid · in 2 records
- 1XF · 2-{[(carbamoylsulfanyl)acetyl]amino}benzoic acid · in 1 record
- 6HM · [([1,1'-biphenyl]-2-yl)methyl]propanedioic acid · in 1 record
- 7AS · 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 · in 1 record
- CA · Calcium ion · in 1 record
- HFH · ~{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-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide · in 1 record
- HKH · ~{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 · in 1 record
- HVW · (2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl) phenyl]ethyl]amino]pentanamide · in 1 record
- J0V · 1,6,6-trimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-2-sulfonic acid · in 1 record
- J5N · ~{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 · in 1 record
- J5T · ~{N}-[(2~{S})-1-[(3~{R},3~{A}~{R},6~{R},6~{A}~{S})-6-chloranyl-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 · in 1 record
- J6B · ~{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 · in 1 record
- NO3 · Nitrate ion · in 1 record
- UUW · N-(4-(dibenzylamino)-4-oxobutyl)-2-(5-(dimethylamino) pentanamido)-4-methylpentanamide · in 1 record
Experiment against prediction
- 3H7D chain A against the predicted model P43235: TM-score 1.00, RMSD 0.28 Å
- 3H7D chain A against the predicted model P43235: TM-score 1.00, RMSD 0.28 Å
- 3H7D chain E against the predicted model P43235: TM-score 1.00, RMSD 0.28 Å
- 3H7D chain E against the predicted model P43235: TM-score 1.00, RMSD 0.28 Å
- 3C9E chain A against the predicted model P43235: TM-score 1.00, RMSD 0.30 Å
- 3C9E chain A against the predicted model P43235: TM-score 1.00, RMSD 0.30 Å
- 6QLW chain B against the predicted model P43235: TM-score 1.00, RMSD 0.30 Å
- 1ATK chain A against the predicted model P43235: TM-score 1.00, RMSD 0.30 Å
- 1ATK chain A against the predicted model P43235: TM-score 1.00, RMSD 0.30 Å
- 4DMY chain A against the predicted model P43235: TM-score 1.00, RMSD 0.31 Å
Elsewhere
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