8C6P
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![BU of 8c6p by Molmil](/molmil-images/mine/8c6p) | Fragment screening hit I bound to endothiapepsin | 分子名称: | 4-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)methyl]benzenecarbonitrile, Endothiapepsin, GLYCEROL | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | 登録日 | 2023-01-12 | 公開日 | 2023-05-24 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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8C6Q
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![BU of 8c6q by Molmil](/molmil-images/mine/8c6q) | Fragment screening hit II bound to endothiapepsin | 分子名称: | 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline, Endothiapepsin, GLYCEROL | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | 登録日 | 2023-01-12 | 公開日 | 2023-05-24 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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8C71
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![BU of 8c71 by Molmil](/molmil-images/mine/8c71) | Pyrrolidine fragment 5b bound to endothiapepsin | 分子名称: | (3~{R},4~{R})-4-(3,4-dihydro-1~{H}-isoquinolin-2-yl)pyrrolidin-3-ol, Endothiapepsin, GLYCEROL | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | 登録日 | 2023-01-12 | 公開日 | 2023-05-24 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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8C72
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![BU of 8c72 by Molmil](/molmil-images/mine/8c72) | Pyrrolidine fragment 10b bound to endothiapepsin | 分子名称: | (3~{S},4~{S})-4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-3-ol, Endothiapepsin, GLYCEROL | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | 登録日 | 2023-01-12 | 公開日 | 2023-05-24 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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8C70
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![BU of 8c70 by Molmil](/molmil-images/mine/8c70) | Pyrrolidine fragment 1 bound to endothiapepsin | 分子名称: | (3~{R},4~{R})-4-[4-[(5-bromanylpyridin-3-yl)oxymethyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol, Endothiapepsin | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | 登録日 | 2023-01-12 | 公開日 | 2023-05-24 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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8C74
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![BU of 8c74 by Molmil](/molmil-images/mine/8c74) | Pyrrolidine fragment 10d bound to endothiapepsin | 分子名称: | (3~{R},4~{R})-4-[4-[(4-azanylphenoxy)methyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol, Endothiapepsin, GLYCEROL | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | 登録日 | 2023-01-12 | 公開日 | 2023-05-24 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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8C6S
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![BU of 8c6s by Molmil](/molmil-images/mine/8c6s) | Fragment screening hit III bound to endothiapepsin | 分子名称: | 4-(1,4-diazepan-1-ylsulfonyl)isoquinoline, Endothiapepsin, GLYCEROL | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | 登録日 | 2023-01-12 | 公開日 | 2023-05-24 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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8C6T
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![BU of 8c6t by Molmil](/molmil-images/mine/8c6t) | Fragment screening hit IV bound to endothiapepsin | 分子名称: | 1-[3,5-bis(chloranyl)phenoxy]propan-2-amine, Endothiapepsin, GLYCEROL | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | 登録日 | 2023-01-12 | 公開日 | 2023-05-24 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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7OVJ
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![BU of 7ovj by Molmil](/molmil-images/mine/7ovj) | Protein kinase MKK7 in complex with difluoro-phenethyltriazole-substituted pyrazolopyrimidine | 分子名称: | 1-[(3~{R})-3-[4-azanyl-3-[1-[2,2-bis(fluoranyl)-2-phenyl-ethyl]-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7 | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | 登録日 | 2021-06-15 | 公開日 | 2022-07-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Optimization of Covalent MKK7 Inhibitors via Crude Nanomole-Scale Libraries. J.Med.Chem., 65, 2022
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3L3V
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![BU of 3l3v by Molmil](/molmil-images/mine/3l3v) | Structure of HIV-1 integrase core domain in complex with sucrose | 分子名称: | CADMIUM ION, POL polyprotein, SULFATE ION, ... | 著者 | Wielens, J, Chalmers, D.K, Scanlon, M.J, Parker, M.W. | 登録日 | 2009-12-18 | 公開日 | 2010-03-31 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of the HIV-1 integrase core domain in complex with sucrose reveals details of an allosteric inhibitory binding site Febs Lett., 584, 2010
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3L3U
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![BU of 3l3u by Molmil](/molmil-images/mine/3l3u) | Crystal structure of the HIV-1 integrase core domain to 1.4A | 分子名称: | POL polyprotein, SULFATE ION | 著者 | Wielens, J, Chalmers, D.K, Scanlon, M.J, Parker, M.W. | 登録日 | 2009-12-17 | 公開日 | 2010-03-31 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Crystal structure of the HIV-1 integrase core domain in complex with sucrose reveals details of an allosteric inhibitory binding site. Febs Lett., 584, 2010
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4Y1C
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![BU of 4y1c by Molmil](/molmil-images/mine/4y1c) | |
8AC5
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![BU of 8ac5 by Molmil](/molmil-images/mine/8ac5) | Complex III2 from Yarrowia lipolytica, with decylubiquinol, oxidised, b-position | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, CARDIOLIPIN, ... | 著者 | Wieferig, J.P, Kuhlbrandt, W. | 登録日 | 2022-07-05 | 公開日 | 2023-01-11 | 最終更新日 | 2023-01-25 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Analysis of the conformational heterogeneity of the Rieske iron-sulfur protein in complex III 2 by cryo-EM. Iucrj, 10, 2023
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8ABI
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![BU of 8abi by Molmil](/molmil-images/mine/8abi) | Complex III2 from Yarrowia lipolytica,antimycin A bound, int-position | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, CARDIOLIPIN, ... | 著者 | Wieferig, J.P, Kuhlbrandt, W. | 登録日 | 2022-07-04 | 公開日 | 2023-01-11 | 最終更新日 | 2023-01-25 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Analysis of the conformational heterogeneity of the Rieske iron-sulfur protein in complex III 2 by cryo-EM. Iucrj, 10, 2023
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8AB9
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![BU of 8ab9 by Molmil](/molmil-images/mine/8ab9) | Complex III2 from Yarrowia lipolytica, ascorbate-reduced, b-position | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, CARDIOLIPIN, ... | 著者 | Wieferig, J.P, Kuhlbrandt, W. | 登録日 | 2022-07-04 | 公開日 | 2023-01-11 | 最終更新日 | 2023-01-25 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Analysis of the conformational heterogeneity of the Rieske iron-sulfur protein in complex III 2 by cryo-EM. Iucrj, 10, 2023
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8AB6
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![BU of 8ab6 by Molmil](/molmil-images/mine/8ab6) | Complex III2 from Yarrowia lipolytica, combined datasets, consensus refinement | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, CARDIOLIPIN, ... | 著者 | Wieferig, J.P, Kuhlbrandt, W. | 登録日 | 2022-07-04 | 公開日 | 2023-01-11 | 最終更新日 | 2023-01-25 | 実験手法 | ELECTRON MICROSCOPY (2 Å) | 主引用文献 | Analysis of the conformational heterogeneity of the Rieske iron-sulfur protein in complex III 2 by cryo-EM. Iucrj, 10, 2023
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8ABM
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![BU of 8abm by Molmil](/molmil-images/mine/8abm) | Complex III2 from Yarrowia lipolytica, apo, b-position | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, CARDIOLIPIN, ... | 著者 | Wieferig, J.P, Kuhlbrandt, W. | 登録日 | 2022-07-04 | 公開日 | 2023-01-11 | 最終更新日 | 2023-01-25 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Analysis of the conformational heterogeneity of the Rieske iron-sulfur protein in complex III 2 by cryo-EM. Iucrj, 10, 2023
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8ABA
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![BU of 8aba by Molmil](/molmil-images/mine/8aba) | Complex III2 from Yarrowia lipolytica, ascorbate-reduced, int-position | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, CARDIOLIPIN, ... | 著者 | Wieferig, J.P, Kuhlbrandt, W. | 登録日 | 2022-07-04 | 公開日 | 2023-01-11 | 最終更新日 | 2023-01-25 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Analysis of the conformational heterogeneity of the Rieske iron-sulfur protein in complex III 2 by cryo-EM. Iucrj, 10, 2023
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8AB7
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![BU of 8ab7 by Molmil](/molmil-images/mine/8ab7) | Complex III2 from Yarrowia lipolytica, atovaquone and antimycin A bound | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione, ... | 著者 | Wieferig, J.P, Kuhlbrandt, W. | 登録日 | 2022-07-04 | 公開日 | 2023-01-11 | 最終更新日 | 2023-01-25 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Analysis of the conformational heterogeneity of the Rieske iron-sulfur protein in complex III 2 by cryo-EM. Iucrj, 10, 2023
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8ABH
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![BU of 8abh by Molmil](/molmil-images/mine/8abh) | Complex III2 from Yarrowia lipolytica, antimycin A bound, b-position | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, CARDIOLIPIN, ... | 著者 | Wieferig, J.P, Kuhlbrandt, W. | 登録日 | 2022-07-04 | 公開日 | 2023-01-11 | 最終更新日 | 2023-01-25 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Analysis of the conformational heterogeneity of the Rieske iron-sulfur protein in complex III 2 by cryo-EM. Iucrj, 10, 2023
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8ABB
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![BU of 8abb by Molmil](/molmil-images/mine/8abb) | Complex III2 from Yarrowia lipolytica, ascorbate-reduced, c-position | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, CARDIOLIPIN, ... | 著者 | Wieferig, J.P, Kuhlbrandt, W. | 登録日 | 2022-07-04 | 公開日 | 2023-01-11 | 最終更新日 | 2023-01-25 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Analysis of the conformational heterogeneity of the Rieske iron-sulfur protein in complex III 2 by cryo-EM. Iucrj, 10, 2023
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8ABJ
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![BU of 8abj by Molmil](/molmil-images/mine/8abj) | Complex III2 from Yarrowia lipolytica, antimycin A bound, c-position | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, CARDIOLIPIN, ... | 著者 | Wieferig, J.P, Kuhlbrandt, W. | 登録日 | 2022-07-04 | 公開日 | 2023-01-11 | 最終更新日 | 2023-01-25 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Analysis of the conformational heterogeneity of the Rieske iron-sulfur protein in complex III 2 by cryo-EM. Iucrj, 10, 2023
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8AC4
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![BU of 8ac4 by Molmil](/molmil-images/mine/8ac4) | Complex III2 from Yarrowia lipolytica, apo, c-position | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, CARDIOLIPIN, ... | 著者 | Wieferig, J.P, Kuhlbrandt, W. | 登録日 | 2022-07-05 | 公開日 | 2023-01-11 | 最終更新日 | 2023-01-25 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Analysis of the conformational heterogeneity of the Rieske iron-sulfur protein in complex III 2 by cryo-EM. Iucrj, 10, 2023
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8ABF
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![BU of 8abf by Molmil](/molmil-images/mine/8abf) | Complex III2 from Yarrowia lipolytica, oxidised with ferricyanide, int-position | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, CARDIOLIPIN, ... | 著者 | Wieferig, J.P, Kuhlbrandt, W. | 登録日 | 2022-07-04 | 公開日 | 2023-01-11 | 最終更新日 | 2023-01-25 | 実験手法 | ELECTRON MICROSCOPY (2.3 Å) | 主引用文献 | Analysis of the conformational heterogeneity of the Rieske iron-sulfur protein in complex III 2 by cryo-EM. Iucrj, 10, 2023
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8ABK
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![BU of 8abk by Molmil](/molmil-images/mine/8abk) | Complex III2 from Yarrowia lipolytica, decylubiquinol bound, b-position | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, ... | 著者 | Wieferig, J.P, Kuhlbrandt, W. | 登録日 | 2022-07-04 | 公開日 | 2023-01-11 | 最終更新日 | 2023-01-25 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | Analysis of the conformational heterogeneity of the Rieske iron-sulfur protein in complex III 2 by cryo-EM. Iucrj, 10, 2023
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