7QMM
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![BU of 7qmm by Molmil](/molmil-images/mine/7qmm) | Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 14) | 分子名称: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Huang, C.Y, Aumonier, S, Wang, M. | 登録日 | 2021-12-20 | 公開日 | 2022-08-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QMN
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![BU of 7qmn by Molmil](/molmil-images/mine/7qmn) | Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 15) | 分子名称: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Huang, C.Y, Aumonier, S, Wang, M. | 登録日 | 2021-12-20 | 公開日 | 2022-08-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QMO
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![BU of 7qmo by Molmil](/molmil-images/mine/7qmo) | Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 16) | 分子名称: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Huang, C.Y, Aumonier, S, Wang, M. | 登録日 | 2021-12-20 | 公開日 | 2022-08-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QMP
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![BU of 7qmp by Molmil](/molmil-images/mine/7qmp) | Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 17) | 分子名称: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Huang, C.Y, Aumonier, S, Wang, M. | 登録日 | 2021-12-20 | 公開日 | 2022-08-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QMQ
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![BU of 7qmq by Molmil](/molmil-images/mine/7qmq) | Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 18) | 分子名称: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Huang, C.Y, Aumonier, S, Wang, M. | 登録日 | 2021-12-20 | 公開日 | 2022-08-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QMR
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![BU of 7qmr by Molmil](/molmil-images/mine/7qmr) | Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 1) | 分子名称: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Huang, C.Y, Aumonier, S, Wang, M. | 登録日 | 2021-12-20 | 公開日 | 2022-08-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QMT
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![BU of 7qmt by Molmil](/molmil-images/mine/7qmt) | Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 3) | 分子名称: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Huang, C.Y, Aumonier, S, Wang, M. | 登録日 | 2021-12-20 | 公開日 | 2022-08-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QMS
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![BU of 7qms by Molmil](/molmil-images/mine/7qms) | Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 2) | 分子名称: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Huang, C.Y, Aumonier, S, Wang, M. | 登録日 | 2021-12-20 | 公開日 | 2022-08-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QMU
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![BU of 7qmu by Molmil](/molmil-images/mine/7qmu) | Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 4) | 分子名称: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Huang, C.Y, Aumonier, S, Wang, M. | 登録日 | 2021-12-20 | 公開日 | 2022-08-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QMV
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![BU of 7qmv by Molmil](/molmil-images/mine/7qmv) | Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 5) | 分子名称: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Huang, C.Y, Aumonier, S, Wang, M. | 登録日 | 2021-12-20 | 公開日 | 2022-08-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QMW
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![BU of 7qmw by Molmil](/molmil-images/mine/7qmw) | Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 6) | 分子名称: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Huang, C.Y, Aumonier, S, Wang, M. | 登録日 | 2021-12-20 | 公開日 | 2022-08-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QMX
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![BU of 7qmx by Molmil](/molmil-images/mine/7qmx) | Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 7) | 分子名称: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Huang, C.Y, Aumonier, S, Wang, M. | 登録日 | 2021-12-20 | 公開日 | 2022-08-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QN0
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![BU of 7qn0 by Molmil](/molmil-images/mine/7qn0) | Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 10) | 分子名称: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Huang, C.Y, Aumonier, S, Wang, M. | 登録日 | 2021-12-20 | 公開日 | 2022-08-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QN2
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![BU of 7qn2 by Molmil](/molmil-images/mine/7qn2) | Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 12) | 分子名称: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Huang, C.Y, Aumonier, S, Wang, M. | 登録日 | 2021-12-20 | 公開日 | 2022-08-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7RY7
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![BU of 7ry7 by Molmil](/molmil-images/mine/7ry7) | |
3OAG
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![BU of 3oag by Molmil](/molmil-images/mine/3oag) | Design and optimization of new piperidines as renin inhibitors | 分子名称: | (3R,4S)-N-{2-chloro-5-[(cyclopropylamino)methyl]benzyl}-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | 著者 | Prade, L. | 登録日 | 2010-08-05 | 公開日 | 2010-11-03 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design and optimization of new piperidines as renin inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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3OOT
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![BU of 3oot by Molmil](/molmil-images/mine/3oot) | Crystal Structure Analysis of Renin-indole-piperazin inhibitor complexes | 分子名称: | 2-(3-fluoro-2-methylbenzyl)-4-methyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indol-5-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | 著者 | Bocskei, Z. | 登録日 | 2010-08-31 | 公開日 | 2010-10-27 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Discovery and optimization of a new class of potent and non-chiral indole-3-carboxamide-based renin inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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3OOZ
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![BU of 3ooz by Molmil](/molmil-images/mine/3ooz) | Bace1 in complex with the aminohydantoin Compound 102 | 分子名称: | (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(5-fluoropent-1-yn-1-yl)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 | 著者 | Olland, A.M. | 登録日 | 2010-08-31 | 公開日 | 2011-08-31 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Design and Synthesis of Aminohydantoins as Potent and Selective Human beta-Secretase (BACE1) Inhibitors with Enhanced Brain Permeability Bioorg.Med.Chem.Lett., 20, 2010
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3OQF
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![BU of 3oqf by Molmil](/molmil-images/mine/3oqf) | |
3PRS
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![BU of 3prs by Molmil](/molmil-images/mine/3prs) | Endothiapepsin in complex with ritonavir | 分子名称: | DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ... | 著者 | Koester, H, Heine, A, Klebe, G. | 登録日 | 2010-11-30 | 公開日 | 2011-10-26 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Experimental and computational active site mapping as a starting point to fragment-based lead discovery. Chemmedchem, 7, 2012
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3QI1
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![BU of 3qi1 by Molmil](/molmil-images/mine/3qi1) | |
3Q4B
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![BU of 3q4b by Molmil](/molmil-images/mine/3q4b) | Clinically Useful Alkyl Amine Renin Inhibitors | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Renin, ... | 著者 | Wu, Z, McKeever, B.M. | 登録日 | 2010-12-23 | 公開日 | 2011-11-30 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Discovery of VTP-27999, an Alkyl Amine Renin Inhibitor with Potential for Clinical Utility. ACS Med Chem Lett, 2, 2011
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3PWW
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![BU of 3pww by Molmil](/molmil-images/mine/3pww) | Endothiapepsin in complex with saquinavir | 分子名称: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Endothiapepsin, GLYCEROL | 著者 | Koester, H, Heine, A, Klebe, G. | 登録日 | 2010-12-09 | 公開日 | 2011-12-14 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | Experimental and computational active site mapping as a starting point to fragment-based lead discovery. Chemmedchem, 7, 2012
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3PLL
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![BU of 3pll by Molmil](/molmil-images/mine/3pll) | Endothiapepsin in complex with a fragment | 分子名称: | 2-chlorobenzyl carbamimidothioate, Endothiapepsin, GLYCEROL | 著者 | Koester, H, Heine, A, Klebe, G. | 登録日 | 2010-11-15 | 公開日 | 2011-11-02 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | 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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3PMY
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![BU of 3pmy by Molmil](/molmil-images/mine/3pmy) | Endothiapepsin in complex with a fragment | 分子名称: | Endothiapepsin, GLYCEROL, N-(1H-benzimidazol-1-yl)-2-phenylacetamide | 著者 | Koester, H, Heine, A, Klebe, G. | 登録日 | 2010-11-18 | 公開日 | 2011-11-02 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | 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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