7BKY
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![BU of 7bky by Molmil](/molmil-images/mine/7bky) | Endothiapepsin structure obtained at 298K with fragment BTB09871 bound from a dataset collected with JUNGFRAU detector | Descriptor: | DIMETHYL SULFOXIDE, Endothiapepsin, PENTAETHYLENE GLYCOL, ... | Authors: | Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M. | Deposit date: | 2021-01-17 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Endothiapepsin structure obtained at 298K with fragment BTB09871 bound from a dataset collected with JUNGFRAU detector To Be Published
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7BKZ
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![BU of 7bkz by Molmil](/molmil-images/mine/7bkz) | Endothiapepsin structure obtained at 298K after a soaking with fragment AC39729 from a dataset collected with JUNGFRAU detector | Descriptor: | DIMETHYL SULFOXIDE, Endothiapepsin | Authors: | Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M. | Deposit date: | 2021-01-17 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Endothiapepsin structure obtained at 298K after a soaking with fragment AC39729 from a dataset collected with JUNGFRAU detector To Be Published
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3WZ7
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![BU of 3wz7 by Molmil](/molmil-images/mine/3wz7) | Endothiapepsin in complex with Gewald reaction-derived inhibitor (6) | Descriptor: | DIMETHYL SULFOXIDE, Endothiapepsin, N-benzyl-2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | Authors: | Kuhnert, M, Steuber, H, Diederich, W.E. | Deposit date: | 2014-09-19 | Release date: | 2015-08-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors Angew.Chem.Int.Ed.Engl., 54, 2015
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3PGI
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![BU of 3pgi by Molmil](/molmil-images/mine/3pgi) | Endothiapepsin in complex with a fragment | Descriptor: | Endothiapepsin, GLYCEROL, N-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide | Authors: | Koester, H, Heine, A, Klebe, G. | Deposit date: | 2010-11-02 | Release date: | 2011-10-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes. J.Med.Chem., 54, 2011
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3URJ
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![BU of 3urj by Molmil](/molmil-images/mine/3urj) | Type IV native endothiapepsin | Descriptor: | Endothiapepsin, SULFATE ION | Authors: | Bailey, D, Cooper, J.B. | Deposit date: | 2011-11-22 | Release date: | 2012-04-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | An analysis of subdomain orientation, conformational change and disorder in relation to crystal packing of aspartic proteinases. Acta Crystallogr.,Sect.D, 68, 2012
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1EPP
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![BU of 1epp by Molmil](/molmil-images/mine/1epp) | ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-130,693 (MAS PHE LYS+MTF STA MBA) | Descriptor: | ENDOTHIAPEPSIN, N-(dimethylsulfamoyl)-L-phenylalanyl-N-[(1S,2S)-2-hydroxy-4-{[(2S)-2-methylbutyl]amino}-1-(2-methylpropyl)-4-oxobutyl]-N~6~-(methylcarbamothioyl)-L-lysinamide, SULFATE ION | Authors: | Wallace, B.A, Cooper, J.B, Blundell, T.L. | Deposit date: | 1994-07-27 | Release date: | 1994-12-20 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Analyses of ligand binding in five endothiapepsin crystal complexes and their use in the design and evaluation of novel renin inhibitors. J.Med.Chem., 36, 1993
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1EPL
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![BU of 1epl by Molmil](/molmil-images/mine/1epl) | A STRUCTURAL COMPARISON OF 21 INHIBITOR COMPLEXES OF THE ASPARTIC PROTEINASE FROM ENDOTHIA PARASITICA | Descriptor: | ENDOTHIAPEPSIN, PS1, PRO-LEU-GLU-PSA-ARG-LEU | Authors: | Al-Karadaghi, S, Cooper, J.B, Strop, P, Blundell, T.L. | Deposit date: | 1994-07-27 | Release date: | 1994-12-20 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A structural comparison of 21 inhibitor complexes of the aspartic proteinase from Endothia parasitica. Protein Sci., 3, 1994
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1EED
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![BU of 1eed by Molmil](/molmil-images/mine/1eed) | X-ray crystallographic analysis of inhibition of endothiapepsin by cyclohexyl renin inhibitors | Descriptor: | (2S)-2-[[(3S,4S)-5-cyclohexyl-4-[[(4S,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanyl-6-phenyl-hexanoyl]amino]-3-oxidanyl-pentanoyl]amino]-4-methyl-pentanoic acid, ENDOTHIAPEPSIN | Authors: | Blundell, T.L, Frazao, C, Cooper, J.B. | Deposit date: | 1992-06-15 | Release date: | 1994-01-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray crystallographic analysis of inhibition of endothiapepsin by cyclohexyl renin inhibitors. Biochemistry, 31, 1992
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3ER3
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![BU of 3er3 by Molmil](/molmil-images/mine/3er3) | The active site of aspartic proteinases | Descriptor: | 6-ammonio-N-[(2R,4R,5R)-5-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoyl]-L-norleucylphenylalanine, ENDOTHIAPEPSIN | Authors: | Al-Karadaghi, S, Cooper, J.B, Veerapandian, B, Hoover, D, Blundell, T.L. | Deposit date: | 1991-01-02 | Release date: | 1991-04-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Active Site of Aspartic Proteinases FEBS Lett., 174, 1984
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4ER1
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![BU of 4er1 by Molmil](/molmil-images/mine/4er1) | THE ACTIVE SITE OF ASPARTIC PROTEINASES | Descriptor: | ENDOTHIAPEPSIN, N-[(1R,2R,4R)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-{[(2R)-2-methylbutyl]carbamoyl}heptyl]-3-(1H-imidazol-3-ium-4-yl)-N~2~-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]-L-alaninamide | Authors: | Quail, J.W, Cooper, J.B, Szelke, M, Blundell, T.L. | Deposit date: | 1990-10-14 | Release date: | 1991-01-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The active site of aspartic proteinases FEBS Lett., 174, 1984
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5ER1
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![BU of 5er1 by Molmil](/molmil-images/mine/5er1) | |
2ER6
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![BU of 2er6 by Molmil](/molmil-images/mine/2er6) | The structure of a synthetic pepsin inhibitor complexed with endothiapepsin. | Descriptor: | ENDOTHIAPEPSIN, H-256 peptide | Authors: | Cooper, J.B, Foundling, S.I, Szelke, M, Blundell, T.L. | Deposit date: | 1990-10-13 | Release date: | 1991-01-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structure of a synthetic pepsin inhibitor complexed with endothiapepsin Eur.J.Biochem., 169, 1987
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2VS2
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![BU of 2vs2 by Molmil](/molmil-images/mine/2vs2) | Neutron diffraction structure of endothiapepsin in complex with a gem- diol inhibitor. | Descriptor: | ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide | Authors: | Coates, L, Tuan, H.-F, Tomanicek, S, Kovalevsky, A, Mustyakimov, M, Erskine, P, Cooper, J. | Deposit date: | 2008-04-17 | Release date: | 2008-05-27 | Last modified: | 2023-11-15 | Method: | NEUTRON DIFFRACTION (2 Å) | Cite: | The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction J.Am.Chem.Soc., 130, 2008
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4ER2
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![BU of 4er2 by Molmil](/molmil-images/mine/4er2) | The active site of aspartic proteinases | Descriptor: | ENDOTHIAPEPSIN, PEPSTATIN, SULFATE ION | Authors: | Bailey, D, Veerapandian, B, Cooper, J.B, Blundell, T.L. | Deposit date: | 1990-10-20 | Release date: | 1991-01-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The active site of aspartic proteinases FEBS Lett., 174, 1984
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1ER8
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![BU of 1er8 by Molmil](/molmil-images/mine/1er8) | THE ACTIVE SITE OF ASPARTIC PROTEINASES | Descriptor: | Endothiapepsin, H-77 | Authors: | Hemmings, A.M, Veerapandian, B, Szelke, M, Cooper, J.B, Blundell, T.L. | Deposit date: | 1989-10-16 | Release date: | 1991-10-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Active Site of Aspartic Proteinases FEBS Lett., 174, 1984
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1EPO
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![BU of 1epo by Molmil](/molmil-images/mine/1epo) | ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH CP-81,282 (MOR PHE NLE CHF NME) | Descriptor: | ENDOTHIAPEPSIN, N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-L-norleucinamide | Authors: | Veerapandian, B, Cooper, J.B, Blundell, T.L. | Deposit date: | 1994-07-27 | Release date: | 1994-12-20 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Direct observation by X-ray analysis of the tetrahedral intermediate of aspartic proteinases. Protein Sci., 1, 1992
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3URL
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![BU of 3url by Molmil](/molmil-images/mine/3url) | Endothiapepsin-DB6 complex. | Descriptor: | DB6 peptide, Endothiapepsin, SULFATE ION | Authors: | Bailey, D, Sanz-Aparicio, J, Albert, A, Cooper, J.B. | Deposit date: | 2011-11-22 | Release date: | 2012-04-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An analysis of subdomain orientation, conformational change and disorder in relation to crystal packing of aspartic proteinases. Acta Crystallogr.,Sect.D, 68, 2012
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1E80
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![BU of 1e80 by Molmil](/molmil-images/mine/1e80) | Endothiapepsin complex with renin inhibitor MERCK-KGAA-EMD56133 | Descriptor: | 4-amino-N-{(1R,8R,9R,13R)-16-(4-amino-2-methylpyrimidin-5-yl)-1-benzyl-8-(cyclohexylmethyl)-9-hydroxy-13-[(1S)-1-methylpropyl]-2,6,11,14-tetraoxo-3,7,12,15-tetraazahexadec-1-yl}piperidine-1-carboxamide, ENDOTHIAPEPSIN | Authors: | Read, J.A, Cooper, J.B, Toldo, L, Rippmann, F, Raddatz, P. | Deposit date: | 2000-09-15 | Release date: | 2000-09-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Refinement of Four Endothiapepsin Inhibitor Complexes. Crystallographic Studies of Cytochrome Ch from Methylobacterium Extorquens and Inhibitor Complexes of Aspartic Proteinases. Ph D Thesis, 1999
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1E82
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![BU of 1e82 by Molmil](/molmil-images/mine/1e82) | Endothiapepsin complex with renin inhibitor MERCK-KGAA-EMD59601 | Descriptor: | (2S)-1-{[(2R)-1-{[(2S,3R)-1-cyclohexyl-3-hydroxy-4-(pyridin-4-yloxy)butan-2-yl]amino}-3-(methylsulfanyl)-1-oxopropan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl 4-aminopiperidine-1-carboxylate, ENDOTHIAPEPSIN | Authors: | Read, J.A, Cooper, J.B, Toldo, L, Rippmann, F, Raddatz, P. | Deposit date: | 2000-09-15 | Release date: | 2000-10-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Refinement of Four Endothiapepsin Inhibitor Complexes. Crystallographic Studies of Cytochrome Ch from Methylobacterium Extorquens and Inhibitor Complexes of Aspartic Proteinases. Thesis, 1999
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1E5O
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![BU of 1e5o by Molmil](/molmil-images/mine/1e5o) | Endothiapepsin complex with inhibitor DB2 | Descriptor: | ENDOTHIAPEPSIN, N-[(2S)-2-amino-3-phenylpropyl]-D-methionyl-L-alanyl-L-isoleucine | Authors: | Read, J.A, Cooper, J.B, Toldo, L, Bailey, D. | Deposit date: | 2000-07-28 | Release date: | 2000-09-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Refinement of Four Endothiapepsin Inhibitor Complexes. Crystallographic Studies of Cytochrome Ch from Methylobacterium Extorquens and Inhibitor Complexes of Aspartic Proteinases. Thesis, 1999
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1E81
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![BU of 1e81 by Molmil](/molmil-images/mine/1e81) | Endothiapepsin complex with renin inhibitor MERCK-KGAA-EMD61395 | Descriptor: | (2S)-1-{[(2R)-1-{[(2S,3S)-1-cyclohexyl-3-hydroxy-4-(2-oxopyridin-1(2H)-yl)butan-2-yl]amino}-3-(methylsulfanyl)-1-oxopropan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl 4-aminopiperidine-1-carboxylate, ENDOTHIAPEPSIN | Authors: | Read, J.A, Cooper, J.B, Toldo, L, Rippmann, F, Raddatz, P. | Deposit date: | 2000-09-15 | Release date: | 2000-10-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Refinement of Four Endothiapepsin Inhibitor Complexes. Crystallographic Studies of Cytochrome Ch from Methylobacterium Extorquens and Inhibitor Complexes of Aspartic Proteinases. Thesis, 1999
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7BKR
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![BU of 7bkr by Molmil](/molmil-images/mine/7bkr) | Endothiapepsin structure obtained at 298K and 40 mM DMSO from a dataset collected with JUNGFRAU detector | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M. | Deposit date: | 2021-01-17 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Endothiapepsin structure obtained at 298K and 40 mM DMSO from a dataset collected with JUNGFRAU detector To Be Published
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4ER4
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![BU of 4er4 by Molmil](/molmil-images/mine/4er4) | HIGH-RESOLUTION X-RAY ANALYSES OF RENIN INHIBITOR-ASPARTIC PROTEINASE COMPLEXES | Descriptor: | ENDOTHIAPEPSIN, H-142 | Authors: | Foundling, S.I, Watson, F.E, Szelke, M, Blundell, T.L. | Deposit date: | 1991-01-05 | Release date: | 1991-04-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | High resolution X-ray analyses of renin inhibitor-aspartic proteinase complexes. Nature, 327, 1987
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4APE
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![BU of 4ape by Molmil](/molmil-images/mine/4ape) | THE ACTIVE SITE OF ASPARTIC PROTEINASES | Descriptor: | ENDOTHIAPEPSIN | Authors: | Pearl, L.H, Sewell, B.T, Jenkins, J.A, Cooper, J.B, Blundell, T.L. | Deposit date: | 1986-06-09 | Release date: | 1986-07-14 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Active Site of Aspartic Proteinases FEBS Lett., 174, 1984
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1GKT
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![BU of 1gkt by Molmil](/molmil-images/mine/1gkt) | Neutron Laue diffraction structure of endothiapepsin complexed with transition state analogue inhibitor H261 | Descriptor: | ENDOTHIAPEPSIN, INHIBITOR, H261 | Authors: | Coates, L, Erskine, P.T, Wood, S.P, Myles, D.A.A, Cooper, J.B. | Deposit date: | 2001-08-20 | Release date: | 2001-11-20 | Last modified: | 2023-11-15 | Method: | NEUTRON DIFFRACTION (2.1 Å) | Cite: | A Neutron Laue Diffraction Study of Endothiapepsin: Implications for the Aspartic Proteinase Mechanism Biochemistry, 40, 2001
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