6AZW
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![BU of 6azw by Molmil](/molmil-images/mine/6azw) | IDO1/FXB-001116 crystal structure | 分子名称: | (2R)-N-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide, Indoleamine 2,3-dioxygenase 1 | 著者 | Lewis, H.A, Lammens, A, Steinbacher, S. | 登録日 | 2017-09-13 | 公開日 | 2018-03-21 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | 主引用文献 | Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6AZV
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![BU of 6azv by Molmil](/molmil-images/mine/6azv) | IDO1/BMS-978587 crystal structure | 分子名称: | (1R,2S)-2-(4-[bis(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid, Indoleamine 2,3-dioxygenase 1 | 著者 | Lewis, H.A. | 登録日 | 2017-09-13 | 公開日 | 2018-03-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.755 Å) | 主引用文献 | Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6SLY
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![BU of 6sly by Molmil](/molmil-images/mine/6sly) | |
3DK7
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![BU of 3dk7 by Molmil](/molmil-images/mine/3dk7) | |
5F94
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![BU of 5f94 by Molmil](/molmil-images/mine/5f94) | Crystal structure of GSK3b in complex with Compound 15: 2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide | 分子名称: | 2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide, Glycogen synthase kinase-3 beta | 著者 | Lewis, H.A, Kish, K, Luo, G, Dubowchick, G.M. | 登録日 | 2015-12-09 | 公開日 | 2016-02-03 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Discovery of Isonicotinamides as Highly Selective, Brain Penetrable, and Orally Active Glycogen Synthase Kinase-3 Inhibitors. J.Med.Chem., 59, 2016
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6AZU
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![BU of 6azu by Molmil](/molmil-images/mine/6azu) | Holo IDO1 crystal structure | 分子名称: | Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | 著者 | Lewis, H.A, Yan, C. | 登録日 | 2017-09-13 | 公開日 | 2018-03-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.822 Å) | 主引用文献 | Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6RU2
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![BU of 6ru2 by Molmil](/molmil-images/mine/6ru2) | Crystal Structure of Glucuronoyl Esterase from Cerrena unicolor | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-methyl-glucuronoyl methylesterase, ... | 著者 | Ernst, H.A, Mosbech, C, Langkilde, A, Westh, P, Meyer, A, Agger, J.W, Larsen, S. | 登録日 | 2019-05-27 | 公開日 | 2020-03-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | The structural basis of fungal glucuronoyl esterase activity on natural substrates. Nat Commun, 11, 2020
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6RU1
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![BU of 6ru1 by Molmil](/molmil-images/mine/6ru1) | Crystal Structure of Glucuronoyl Esterase from Cerrena unicolor inactive S270A variant in complex with the aldouronic acid Um4X | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, ... | 著者 | Ernst, H.A, Mosbech, C, Langkilde, A, Westh, P, Meyer, A, Agger, J.W, Larsen, S. | 登録日 | 2019-05-27 | 公開日 | 2020-03-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | The structural basis of fungal glucuronoyl esterase activity on natural substrates. Nat Commun, 11, 2020
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3DK6
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![BU of 3dk6 by Molmil](/molmil-images/mine/3dk6) | |
3DK3
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3G4D
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![BU of 3g4d by Molmil](/molmil-images/mine/3g4d) | Crystal Structure of (+)-delta-Cadinene Synthase from Gossypium arboreum and Evolutionary Divergence of Metal Binding Motifs for Catalysis | 分子名称: | (+)-delta-cadinene synthase isozyme XC1, BETA-MERCAPTOETHANOL, GLYCEROL | 著者 | Gennadios, H.A, Di Costanzo, L, Miller, D.J, Allemann, R.K, Christianson, D.W. | 登録日 | 2009-02-03 | 公開日 | 2009-06-16 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.403 Å) | 主引用文献 | Crystal structure of (+)-delta-cadinene synthase from Gossypium arboreum and evolutionary divergence of metal binding motifs for catalysis. Biochemistry, 48, 2009
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3GD7
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![BU of 3gd7 by Molmil](/molmil-images/mine/3gd7) | Crystal structure of human NBD2 complexed with N6-Phenylethyl-ATP (P-ATP) | 分子名称: | Fusion complex of Cystic fibrosis transmembrane conductance regulator, residues 1193-1427 and Maltose/maltodextrin import ATP-binding protein malK, residues 219-371, ... | 著者 | Atwell, S, Antonysamy, S, Conners, K, Emtage, S, Gheyi, T, Lewis, H.A, Lu, F, Sauder, J.M, Wasserman, S.R, Zhao, X. | 登録日 | 2009-02-23 | 公開日 | 2010-03-02 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Crystal structure of human NBD2 complexed with N6-Phenylethyl-ATP (P-ATP) To be Published
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3G4F
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![BU of 3g4f by Molmil](/molmil-images/mine/3g4f) | Crystal Structure of (+)- -Cadinene Synthase from Gossypium arboreum in complex with 2-fluorofarnesyl diphosphate | 分子名称: | (+)-delta-cadinene synthase isozyme XC1, (2Z,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, BETA-MERCAPTOETHANOL, ... | 著者 | Gennadios, H.A, Di Costanzo, L, Christianson, D.W. | 登録日 | 2009-02-03 | 公開日 | 2009-06-23 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.651 Å) | 主引用文献 | Crystal structure of (+)-delta-cadinene synthase from Gossypium arboreum and evolutionary divergence of metal binding motifs for catalysis. Biochemistry, 48, 2009
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3EGF
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4PTC
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![BU of 4ptc by Molmil](/molmil-images/mine/4ptc) | Structure of a carboxamide compound (3) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-OXO-4H-1LAMBDA~4~,3-THIAZOLE-5-CARBOXAMIDE) to GSK3b | 分子名称: | 2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide, Glycogen synthase kinase-3 beta | 著者 | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | 登録日 | 2014-03-10 | 公開日 | 2015-04-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.711 Å) | 主引用文献 | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core. Bioorg.Med.Chem.Lett., 25, 2015
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6EL8
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![BU of 6el8 by Molmil](/molmil-images/mine/6el8) | Crystal structure of the Forkhead domain of human FOXN1 in complex with DNA | 分子名称: | DNA (5'-D(*GP*GP*TP*GP*GP*CP*GP*TP*CP*TP*TP*CP*A)-3'), DNA (5'-D(*TP*GP*AP*AP*GP*AP*CP*GP*CP*CP*AP*CP*C)-3'), Forkhead box protein N1 | 著者 | Newman, J.A, Aitkenhead, H.A, Pinkas, D.M, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC) | 登録日 | 2017-09-28 | 公開日 | 2017-11-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Crystal structure of the Forkhead domain of human FOXN1 in complex with DNA To be published
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7S7V
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![BU of 7s7v by Molmil](/molmil-images/mine/7s7v) | Crystal structure of iNicSnFR3a Fluorescent Nicotine Sensor | 分子名称: | iNicSnFR 3.0 Fluorescent Nicotine Sensor | 著者 | Fan, C, Shivange, A.V, Looger, L.L, Lester, H.A, Rees, D.C. | 登録日 | 2021-09-17 | 公開日 | 2021-10-13 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Correction: Fluorescence activation mechanism and imaging of drug permeation with new sensors for smoking-cessation ligands. Elife, 11, 2022
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7S7Y
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![BU of 7s7y by Molmil](/molmil-images/mine/7s7y) | Crystal structure of iCytSnFR Cytisine Sensor precursor binding protein | 分子名称: | IMIDAZOLE, iNicSnFR 4.0 Fluorescent Nicotine Sensor precursor binding protein | 著者 | Fan, C, Nichols, N.L, Luebbert, L, Looger, L.L, Lester, H.A, Rees, D.C. | 登録日 | 2021-09-17 | 公開日 | 2021-10-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Structure, Function, and Application of Bacterial ABC Transporters Ph.D.Thesis,California Institute of Technology, 2020
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7S7T
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![BU of 7s7t by Molmil](/molmil-images/mine/7s7t) | iNicSnFR3a Nicotine Sensor comprising Periplasmic Binding sequence plus Fluorescent Sequence with varenicline bound | 分子名称: | IODIDE ION, VARENICLINE, iNicSnFR 3.0 Fluorescent Nicotine Sensor | 著者 | Fan, C, Shivange, A.V, Looger, L.L, Lester, H.A, Rees, D.C. | 登録日 | 2021-09-17 | 公開日 | 2021-10-13 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Correction: Fluorescence activation mechanism and imaging of drug permeation with new sensors for smoking-cessation ligands. Elife, 11, 2022
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7S7Z
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![BU of 7s7z by Molmil](/molmil-images/mine/7s7z) | Crystal structure of iAChSnFR Acetylcholine Sensor precursor binding protein with choline bound | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHOLINE ION, iAchSnFR Fluorescent Acetylcholine Sensor precursor binding protein | 著者 | Fan, C, Borden, P.M, Looger, L.L, Lester, H.A, Rees, D.C. | 登録日 | 2021-09-17 | 公開日 | 2021-10-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structure, Function, and Application of Bacterial ABC Transporters Ph.D.Thesis,California Institute of Technology, 2020
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7S7W
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![BU of 7s7w by Molmil](/molmil-images/mine/7s7w) | Crystal structure of iNicSnFR3a Nicotine Sensor precursor binding protein | 分子名称: | 1,2-ETHANEDIOL, SODIUM ION, iNicSnFR 3.0 Fluorescent Nicotine Sensor precursor binding protein | 著者 | Fan, C, Shivange, A.V, Looger, L.L, Lester, H.A, Rees, D.C. | 登録日 | 2021-09-17 | 公開日 | 2021-10-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Structure, Function, and Application of Bacterial ABC Transporters Ph.D.Thesis,California Institute of Technology, 2020
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7S80
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![BU of 7s80 by Molmil](/molmil-images/mine/7s80) | Crystal structure of iAChSnFR Acetylcholine Sensor precursor binding protein | 分子名称: | 1,2-ETHANEDIOL, MALONATE ION, iAchSnFR Fluorescent Acetylcholine Sensor precursor binding protein | 著者 | Fan, C, Borden, P.M, Looger, L.L, Lester, H.A, Rees, D.C. | 登録日 | 2021-09-17 | 公開日 | 2021-10-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structure, Function, and Application of Bacterial ABC Transporters Ph.D.Thesis,California Institute of Technology, 2020
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7S7U
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![BU of 7s7u by Molmil](/molmil-images/mine/7s7u) | Crystal structure of iNicSnFR3a Fluorescent Nicotine Sensor with nicotine bound | 分子名称: | iNicSnFR 3.0 Fluorescent Nicotine Sensor | 著者 | Fan, C, Shivange, A.V, Looger, L.L, Lester, H.A, Rees, D.C. | 登録日 | 2021-09-17 | 公開日 | 2021-10-13 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Correction: Fluorescence activation mechanism and imaging of drug permeation with new sensors for smoking-cessation ligands. Elife, 11, 2022
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7S7X
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![BU of 7s7x by Molmil](/molmil-images/mine/7s7x) | Crystal structure of iCytSnFR Cytisine Sensor precursor binding protein with varenicline bound | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, DI(HYDROXYETHYL)ETHER, VARENICLINE, ... | 著者 | Fan, C, Nichols, N.L, Luebbert, L, Looger, L.L, Lester, H.A, Rees, D.C. | 登録日 | 2021-09-17 | 公開日 | 2021-10-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure, Function, and Application of Bacterial ABC Transporters Ph.D.Thesis,California Institute of Technology, 2020
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4PTE
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![BU of 4pte by Molmil](/molmil-images/mine/4pte) | Structure of a carvoxamide compound (15) (N-[4-(ISOQUINOLIN-7-YL)PYRIDIN-2-YL]CYCLOPROPANECARBOXAMIDE) to GSK3b | 分子名称: | Glycogen synthase kinase-3 beta, N-[4-(isoquinolin-7-yl)pyridin-2-yl]cyclopropanecarboxamide | 著者 | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | 登録日 | 2014-03-10 | 公開日 | 2015-04-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.033 Å) | 主引用文献 | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core. Bioorg.Med.Chem.Lett., 25, 2015
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