UniProt P11838
Endothiapepsin (P11838)
Endothiapepsin (UniProt P11838), EC 3.4.23.22, 3.4.23.6: 1,519 experimental structures and 1 predicted model on GenesisL1, 145 ligands bound, 479 pockets. Binding sites, druggability and experiment against prediction (TM-score)…
- UniProt
- P11838
- Protein
- Endothiapepsin
- EC
- 3.4.23.22, 3.4.23.6
- Experimental structures
- 1,519
- Predicted models
- 1
- Ligands
- 145
- Pockets
- 479 · 475 records with a druggable one
Structures
1,520 records of P11838 in the MolNFT archive: 1519 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1E5O | Endothiapepsin complex with inhibitor DB2 | x-ray diffraction | E | — | — |
| 1E5O | Endothiapepsin complex with inhibitor DB2 | x-ray diffraction | E | — | — |
| 1E80 | Endothiapepsin complex with renin inhibitor MERCK-KGAA-EMD56133 | x-ray diffraction | E | — | — |
| 1E80 | Endothiapepsin complex with renin inhibitor merck-kgaa-EMD56133 | x-ray diffraction | E | — | — |
| 1E81 | Endothiapepsin complex with renin inhibitor MERCK-KGAA-EMD61395 | x-ray diffraction | E | — | — |
| 1E81 | Endothiapepsin complex with renin inhibitor merck-kgaa-EMD61395 | x-ray diffraction | E | — | — |
| 1E82 | Endothiapepsin complex with renin inhibitor MERCK-KGAA-EMD59601 | x-ray diffraction | E | — | — |
| 1E82 | Endothiapepsin complex with renin inhibitor merck-kgaa-EMD59601 | x-ray diffraction | E | — | — |
| 1EED | X-ray crystallographic analysis of inhibition of endothiapepsin by cyclohexyl renin inhibitors | x-ray diffraction | P | — | — |
| 1EED | X-ray crystallographic analysis of inhibition of endothiapepsin by cyclohexyl renin inhibitors | x-ray diffraction | P | — | — |
| 1ENT | X-ray analyses of aspartic proteinases. the three-dimensional structure at 2.1 ångströms resolution… | x-ray diffraction | E | — | — |
| 1ENT | X-ray analyses of aspartic proteinases. the three-dimensional structure at 2.1 ångströms resolution… | x-ray diffraction | E | — | — |
| 1EPL | A structural comparison of 21 inhibitor complexes of the aspartic proteinase from endothia… | x-ray diffraction | E | — | — |
| 1EPL | A structural comparison of 21 inhibitor complexes of the aspartic proteinase from endothia… | x-ray diffraction | E | — | — |
| 1EPM | A structural comparison of 21 inhibitor complexes of the aspartic proteinase from endothia… | x-ray diffraction | E | — | — |
| 1EPM | A structural comparison of 21 inhibitor complexes of the aspartic proteinase from endothia… | x-ray diffraction | E | — | — |
| 1EPN | A structural comparison of 21 inhibitor complexes of the aspartic proteinase from endothia… | x-ray diffraction | E | — | — |
| 1EPN | A structural comparison of 21 inhibitor complexes of the aspartic proteinase from endothia… | x-ray diffraction | E | — | — |
| 1EPO | Endothia aspartic proteinase (endothiapepsin) complexed with cp-81,282 (mor phe nle chf nme) | x-ray diffraction | E | — | — |
| 1EPO | Endothia aspartic proteinase (endothiapepsin) complexed with cp-81,282 (mor phe nle chf nme) | x-ray diffraction | E | — | — |
| 1EPP | Endothia aspartic proteinase (endothiapepsin) complexed with pd-130,693 (mas phe LYS+MTF sta mba) | x-ray diffraction | E | — | — |
| 1EPP | Endothia aspartic proteinase (endothiapepsin) complexed with pd-130, 693 (mas phe LYS+MTF sta mba) | x-ray diffraction | E | — | — |
| 1EPQ | Endothia aspartic proteinase (endothiapepsin) complexed with pd-133,450 (sot phe GLY+SCC gcl) | x-ray diffraction | E | — | — |
| 1EPQ | Endothia aspartic proteinase (endothiapepsin) complexed with pd-133, 450 (sot phe GLY+SCC gcl) | x-ray diffraction | E | — | — |
| 1EPR | Endothia aspartic proteinase (endothiapepsin) complexed with pd-135,040 | x-ray diffraction | E | — | — |
| 1EPR | Endothia aspartic proteinase (endothiapepsin) complexed with pd-135, 040 | x-ray diffraction | E | — | — |
| 1ER8 | The active site of aspartic proteinases | x-ray diffraction | E | — | — |
| 1ER8 | The active site of aspartic proteinases | x-ray diffraction | E | — | — |
| 1GKT | Neutron Laue diffraction structure of endothiapepsin complexed with transition state analogue… | neutron diffraction | A | — | — |
| 1GKT | Neutron laue diffraction structure of endothiapepsin complexed with transition state analogue… | neutron diffraction | A | — | — |
| 1GVT | Endothiapepsin complex with CP-80,794 | x-ray diffraction | A | — | — |
| 1GVT | Endothiapepsin complex with cp-80,794 | x-ray diffraction | A | — | — |
| 1GVU | Endothiapepsin complex with H189 | x-ray diffraction | A | — | — |
| 1GVU | Endothiapepsin complex with H189 | x-ray diffraction | A | — | — |
| 1GVV | Five Atomic Resolution Structures of Endothiapepsin Inhibitor Complexes; implications for the… | x-ray diffraction | A | — | — |
| 1GVV | Five atomic resolution structures of endothiapepsin inhibitor complexes; implications for the… | x-ray diffraction | A | — | — |
| 1GVW | Endothiapepsin complex with PD-130,328 | x-ray diffraction | A | — | — |
| 1GVW | Endothiapepsin complex with pd-130,328 | x-ray diffraction | A | — | — |
| 1GVX | Endothiapepsin complexed with H256 | x-ray diffraction | A | — | — |
| 1GVX | Endothiapepsin complexed with H256 | x-ray diffraction | A | — | — |
| 1OD1 | Endothiapepsin PD135,040 complex | x-ray diffraction | A | — | — |
| 1OD1 | Endothiapepsin PD135,040 complex | x-ray diffraction | A | — | — |
| 1OEW | Atomic resolution structure of native endothiapepsin | x-ray diffraction | A | — | — |
| 1OEW | Atomic resolution structure of native endothiapepsin | x-ray diffraction | A | — | — |
| 1OEX | Atomic Resolution Structure of Endothiapepsin in Complex with a Hydroxyethylene Transition State… | x-ray diffraction | A | — | — |
| 1OEX | Atomic resolution structure of endothiapepsin in complex with a hydroxyethylene transition state… | x-ray diffraction | A | — | — |
| 2ER0 | X-ray studies of aspartic proteinase-statine inhibitor complexes | x-ray diffraction | E | — | — |
| 2ER0 | X-ray studies of aspartic proteinase-statine inhibitor complexes | x-ray diffraction | E | — | — |
| 2ER6 | The structure of a synthetic pepsin inhibitor complexed with endothiapepsin. | x-ray diffraction | E | — | — |
| 2ER6 | The structure of a synthetic pepsin inhibitor complexed with endothiapepsin. | x-ray diffraction | E | — | — |
| 2ER7 | X-ray analyses of aspartic PROTEINASES.III. three-dimensional structure of endothiapepsin complexed… | x-ray diffraction | E | — | — |
| 2ER7 | X-ray analyses of aspartic PROTEINASES.III. three-dimensional structure of endothiapepsin complexed… | x-ray diffraction | E | — | — |
| 2ER9 | X-ray studies of aspartic proteinase-statine inhibitor complexes. | x-ray diffraction | E | — | — |
| 2ER9 | X-ray studies of aspartic proteinase-statine inhibitor complexes. | x-ray diffraction | E | — | — |
| 2JJI | Endothiapepsin in complex with a gem-diol inhibitor. | x-ray diffraction | A | — | — |
| 2JJI | Endothiapepsin in complex with a gem-diol inhibitor. | x-ray diffraction | A | — | — |
| 2JJJ | Endothiapepsin in complex with a gem-diol inhibitor. | x-ray diffraction | A | — | — |
| 2JJJ | Endothiapepsin in complex with a gem-diol inhibitor. | x-ray diffraction | A | — | — |
| 2V00 | X-ray crystal structure of endothiapepsin complexed with compound 1 | x-ray diffraction | A | — | — |
| 2V00 | X-ray crystal structure of endothiapepsin complexed with compound 1 | x-ray diffraction | A | — | — |
1,460 records more on the page itself.
Ligands
- U1H · [4-(trifluoromethyl)phenyl]methanamine · in 77 records
- EMR · N-aminoethylmorpholine · in 6 records
- F63 · N-methyl-1-[5-(pyridin-3-yloxy)furan-2-yl]methanamine · in 5 records
- U1Q · 5-fluoranylpyridin-2-amine · in 5 records
- 7B2 · 4-[12-[(1-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazin-3-ium-3-yl)methyl]-10,11-dimethyl-3,4,6,7, 11-pentazatricyclo[7.3.0.0^{2,6}]dodeca-1(12),2,4,7,9-pentaen-5-yl]-1,2,5-trimethyl-pyrrole-3-carbaldehyde · in 4 records
- PHN · 1,10-phenanthroline · in 4 records
- R8A · (2-aminopyridin-3-yl)methanol · in 4 records
- R8S · 2-hydrazinyl-4-methoxypyrimidine · in 4 records
- R8Y · N-ethyl-N-(thiophene-2-carbonyl)-beta-alanine · in 4 records
- R9J · 2-methyl-N-(4-methylphenyl)-L-alanine · in 4 records
- R9M · 3-(1,3-thiazol-2-yl)propanoic acid · in 4 records
- R9V · (3-endo)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol · in 4 records
- R9Y · 1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine · in 4 records
- RAY · N-(3-fluorophenyl)-2-(2-methoxyethoxy)acetamide · in 4 records
- RB7 · N-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine · in 4 records
- RCV · methyl [3-(aminomethyl)phenoxy]acetate · in 4 records
- RD4 · 3-ethoxybenzene-1-carboximidamide · in 4 records
- RDM · (2R)-2-(acetylamino)-4-phenylbutanoic acid · in 4 records
- REG · 1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea · in 4 records
- SO4 · Sulfate ion · in 4 records
- 47V · 2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide · in 3 records
- 483 · 2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide · in 3 records
- 4AV · 1-(2-chloro-5-nitrophenyl)-N-methylmethanamine · in 3 records
- 5GL · 4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-2-one · in 3 records
- D8V · 4-(2-{[methyl(prop-2-yn-1-yl)amino]methyl}-1,3-thiazol-4-yl)piperidin-4-ol · in 3 records
- RA7 · [2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol · in 3 records
- RBJ · 4-[(methylamino)methyl]phenol · in 3 records
- RDJ · N-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide · in 3 records
- RDV · 3-cyclopentyl-1-(piperazin-1-yl)propan-1-one · in 3 records
- RDY · N-[(benzyloxy)carbonyl]-N-methyl-L-alanine · in 3 records
Experiment against prediction
- 4Y44 chain A against the predicted model P11838: TM-score 1.00, RMSD 0.20 Å
- 4Y44 chain A against the predicted model P11838: TM-score 1.00, RMSD 0.20 Å
- 5OYZ chain A against the predicted model P11838: TM-score 1.00, RMSD 0.20 Å
- 5OYZ chain A against the predicted model P11838: TM-score 1.00, RMSD 0.20 Å
- 5R3Q chain A against the predicted model P11838: TM-score 1.00, RMSD 0.20 Å
- 5R3Q chain A against the predicted model P11838: TM-score 1.00, RMSD 0.20 Å
- 5P3B chain A against the predicted model P11838: TM-score 1.00, RMSD 0.20 Å
- 5P3B chain A against the predicted model P11838: TM-score 1.00, RMSD 0.20 Å
- 5R3Y chain A against the predicted model P11838: TM-score 1.00, RMSD 0.20 Å
- 5R3Y chain A against the predicted model P11838: TM-score 1.00, RMSD 0.20 Å
Elsewhere
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