5R28
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![BU of 5r28 by Molmil](/molmil-images/mine/5r28) | PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry G08, DMSO-free | 分子名称: | Endothiapepsin, N-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | 登録日 | 2020-02-13 | 公開日 | 2020-06-03 | 最終更新日 | 2020-07-08 | 実験手法 | X-RAY DIFFRACTION (1.019 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5R2Q
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![BU of 5r2q by Molmil](/molmil-images/mine/5r2q) | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 14, DMSO-Free | 分子名称: | Endothiapepsin | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | 登録日 | 2020-02-13 | 公開日 | 2020-06-03 | 最終更新日 | 2020-07-08 | 実験手法 | X-RAY DIFFRACTION (1.038 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5R35
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![BU of 5r35 by Molmil](/molmil-images/mine/5r35) | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 29, DMSO-Free | 分子名称: | Endothiapepsin | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | 登録日 | 2020-02-13 | 公開日 | 2020-06-03 | 最終更新日 | 2020-07-08 | 実験手法 | X-RAY DIFFRACTION (0.91 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5R3L
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![BU of 5r3l by Molmil](/molmil-images/mine/5r3l) | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 45, DMSO-Free | 分子名称: | Endothiapepsin | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | 登録日 | 2020-02-13 | 公開日 | 2020-06-03 | 最終更新日 | 2020-07-08 | 実験手法 | X-RAY DIFFRACTION (0.94 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5SAK
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![BU of 5sak by Molmil](/molmil-images/mine/5sak) | Endothiapepsin in complex with compound FU5-1 | 分子名称: | (1Z,3Z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1H-isoindol-1-imine, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S. | 登録日 | 2021-05-28 | 公開日 | 2021-09-01 | 最終更新日 | 2021-09-29 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking. Acta Crystallogr D Struct Biol, 77, 2021
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5SAQ
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![BU of 5saq by Molmil](/molmil-images/mine/5saq) | Endothiapepsin in complex with compound FU58-3 | 分子名称: | 2-({[4-(methylsulfanyl)phenyl]methyl}amino)ethan-1-ol, Endothiapepsin, GLYCEROL | 著者 | Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S. | 登録日 | 2021-05-28 | 公開日 | 2021-09-01 | 最終更新日 | 2021-09-29 | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | 主引用文献 | Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking. Acta Crystallogr D Struct Biol, 77, 2021
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5SAR
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![BU of 5sar by Molmil](/molmil-images/mine/5sar) | Endothiapepsin in complex with compound FU290-1 | 分子名称: | (1,4-phenylene)bis(methylene) dicarbamimidothioate, Endothiapepsin | 著者 | Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S. | 登録日 | 2021-05-28 | 公開日 | 2021-09-01 | 最終更新日 | 2021-09-29 | 実験手法 | X-RAY DIFFRACTION (0.98 Å) | 主引用文献 | Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking. Acta Crystallogr D Struct Biol, 77, 2021
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5SAO
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![BU of 5sao by Molmil](/molmil-images/mine/5sao) | Endothiapepsin in complex with compound FU58-1 | 分子名称: | 1,2-ETHANEDIOL, 6-[(8R)-2-({[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]pyrimidin-4-amine, Endothiapepsin, ... | 著者 | Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S. | 登録日 | 2021-05-28 | 公開日 | 2021-09-01 | 最終更新日 | 2021-09-29 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking. Acta Crystallogr D Struct Biol, 77, 2021
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5SAL
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![BU of 5sal by Molmil](/molmil-images/mine/5sal) | Endothiapepsin in complex with compound FU5-2 | 分子名称: | (1Z)-1-imino-1H-isoindol-3-amine, DIMETHYL SULFOXIDE, Endothiapepsin | 著者 | Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S. | 登録日 | 2021-05-28 | 公開日 | 2021-09-01 | 最終更新日 | 2021-09-29 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking. Acta Crystallogr D Struct Biol, 77, 2021
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5SAT
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![BU of 5sat by Molmil](/molmil-images/mine/5sat) | Endothiapepsin in complex with compound FU66-1 | 分子名称: | Endothiapepsin, GLYCEROL, N-cyclopropyl-6-(furan-2-yl)-2-hydroxy-N-[(pyridin-2-yl)methyl]pyridine-3-carboxamide | 著者 | Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S. | 登録日 | 2021-05-28 | 公開日 | 2021-09-01 | 最終更新日 | 2021-09-29 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking. Acta Crystallogr D Struct Biol, 77, 2021
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5SAN
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![BU of 5san by Molmil](/molmil-images/mine/5san) | Endothiapepsin in complex with compound FU5-4 | 分子名称: | (2Z)-2-(3-amino-1H-isoindol-1-ylidene)hydrazine-1-carboximidamide, Endothiapepsin, GLYCEROL | 著者 | Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S. | 登録日 | 2021-05-28 | 公開日 | 2021-09-01 | 最終更新日 | 2021-09-29 | 実験手法 | X-RAY DIFFRACTION (0.94 Å) | 主引用文献 | Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking. Acta Crystallogr D Struct Biol, 77, 2021
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5SAM
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![BU of 5sam by Molmil](/molmil-images/mine/5sam) | Endothiapepsin in complex with compound FU5-3 | 分子名称: | 3-amino-1H-isoindol-1-one, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S. | 登録日 | 2021-05-28 | 公開日 | 2021-09-01 | 最終更新日 | 2021-09-29 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking. Acta Crystallogr D Struct Biol, 77, 2021
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5SAS
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![BU of 5sas by Molmil](/molmil-images/mine/5sas) | Endothiapepsin in complex with compound FU290-2 | 分子名称: | (1R)-1-(4-chlorophenyl)ethyl carbamimidothioate, BROMIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S. | 登録日 | 2021-05-28 | 公開日 | 2021-09-01 | 最終更新日 | 2021-09-29 | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | 主引用文献 | Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking. Acta Crystallogr D Struct Biol, 77, 2021
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5SAP
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![BU of 5sap by Molmil](/molmil-images/mine/5sap) | Endothiapepsin in complex with compound FU58-2 | 分子名称: | (8S)-5-(2-aminopyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide, 1,2-ETHANEDIOL, Endothiapepsin, ... | 著者 | Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S. | 登録日 | 2021-05-28 | 公開日 | 2021-09-01 | 最終更新日 | 2021-09-29 | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | 主引用文献 | Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking. Acta Crystallogr D Struct Biol, 77, 2021
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6ROW
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![BU of 6row by Molmil](/molmil-images/mine/6row) | Haemonchus galactose containing glycoprotein complex | 分子名称: | Cysteine Protease, Parasite pepsinogen, Putative zinc metallopeptidase | 著者 | Scarff, C.A, Thompson, R.F, Newlands, G.F.J, Jamson, H, Kennaway, C, da Silva, V.J, Rabelo, E.M, Song, C.F, Trinick, J, Smith, W.D, Muench, S.P. | 登録日 | 2019-05-13 | 公開日 | 2020-03-25 | 最終更新日 | 2020-04-22 | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | 主引用文献 | Structure of the protective nematode protease complex H-gal-GP and its conservation across roundworm parasites. Plos Pathog., 16, 2020
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6C4G
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![BU of 6c4g by Molmil](/molmil-images/mine/6c4g) | Plasmepsin V from Plasmodium vivax bound to a transition state mimetic (WEHI-601) | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Czabotar, P.E, Hodder, A.N, Nguyen, W, Sleebs, B.E, Boddey, J.A, Cowman, A.F. | 登録日 | 2018-01-11 | 公開日 | 2018-06-13 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Enhanced antimalarial activity of plasmepsin V inhibitors by modification of the P2position of PEXEL peptidomimetics. Eur J Med Chem, 154, 2018
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6I3F
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![BU of 6i3f by Molmil](/molmil-images/mine/6i3f) | Crystal structure of the complex of human angiotensinogen and renin at 2.55 Angstrom | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensinogen, ... | 著者 | Yan, Y, Read, R.J. | 登録日 | 2018-11-06 | 公開日 | 2018-12-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Structural basis for the specificity of renin-mediated angiotensinogen cleavage. J. Biol. Chem., 294, 2019
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1TZS
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![BU of 1tzs by Molmil](/molmil-images/mine/1tzs) | Crystal Structure of an activation intermediate of Cathepsin E | 分子名称: | 23-mer peptide from PelB-IgG kappa light chain fusion protein, Cathepsin E, activation peptide from Cathepsin E | 著者 | Ostermann, N, Gerhartz, B, Worpenberg, S, Trappe, J, Eder, J. | 登録日 | 2004-07-12 | 公開日 | 2005-07-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Crystal structure of an activation intermediate of cathepsin e J.Mol.Biol., 342, 2004
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1HTR
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5UX4
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![BU of 5ux4 by Molmil](/molmil-images/mine/5ux4) | Crystal Structure of Rat Cathepsin D with (5S)-3-(5,6-dihydro-2H-pyran-3-yl)-1-fluoro- 7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3- c]pyridine-5,4'-[1,3]oxazol]-2'-amine | 分子名称: | (5S)-3-(5,6-dihydro-2H-pyran-3-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Sickmier, A. | 登録日 | 2017-02-22 | 公開日 | 2018-06-13 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.805 Å) | 主引用文献 | Development of 2-aminooxazoline 3-azaxanthene beta-amyloid cleaving enzyme (BACE) inhibitors with improved selectivity against Cathepsin D. Medchemcomm, 8, 2017
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1QDM
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![BU of 1qdm by Molmil](/molmil-images/mine/1qdm) | CRYSTAL STRUCTURE OF PROPHYTEPSIN, A ZYMOGEN OF A BARLEY VACUOLAR ASPARTIC PROTEINASE. | 分子名称: | PROPHYTEPSIN | 著者 | Kervinen, J, Tobin, G.J, Costa, J, Waugh, D.S, Wlodawer, A, Zdanov, A. | 登録日 | 1999-05-19 | 公開日 | 1999-07-16 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of plant aspartic proteinase prophytepsin: inactivation and vacuolar targeting. EMBO J., 18, 1999
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1F34
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![BU of 1f34 by Molmil](/molmil-images/mine/1f34) | CRYSTAL STRUCTURE OF ASCARIS PEPSIN INHIBITOR-3 BOUND TO PORCINE PEPSIN | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, MAJOR PEPSIN INHIBITOR PI-3, PEPSIN A | 著者 | Ng, K.K, Petersen, J.F, Cherney, M.M, Garen, C, James, M.N. | 登録日 | 2000-05-31 | 公開日 | 2001-02-01 | 最終更新日 | 2018-04-04 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structural basis for the inhibition of porcine pepsin by Ascaris pepsin inhibitor-3. Nat.Struct.Biol., 7, 2000
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5MKT
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1G0V
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![BU of 1g0v by Molmil](/molmil-images/mine/1g0v) | THE STRUCTURE OF PROTEINASE A COMPLEXED WITH A IA3 MUTANT, MVV | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEASE A INHIBITOR 3, PROTEINASE A, ... | 著者 | Phylip, L.H, Lees, W, Brownsey, B.G, Bur, D, Dunn, B.M, Winther, J, Gustchina, A, Li, M, Copeland, T, Wlodawer, A, Kay, J. | 登録日 | 2000-10-09 | 公開日 | 2001-04-21 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The potency and specificity of the interaction between the IA3 inhibitor and its target aspartic proteinase from Saccharomyces cerevisiae. J.Biol.Chem., 276, 2001
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1AVF
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![BU of 1avf by Molmil](/molmil-images/mine/1avf) | ACTIVATION INTERMEDIATE 2 OF HUMAN GASTRICSIN FROM HUMAN STOMACH | 分子名称: | GASTRICSIN, SODIUM ION | 著者 | Khan, A.R, Cherney, M.M, Tarasova, N.I, James, M.N.G. | 登録日 | 1997-09-16 | 公開日 | 1998-02-25 | 最終更新日 | 2023-08-02 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Structural characterization of activation 'intermediate 2' on the pathway to human gastricsin. Nat.Struct.Biol., 4, 1997
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