7FGW
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![BU of 7fgw by Molmil](/molmil-images/mine/7fgw) | Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with pyrimethamine, NADPH and dUMP | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, BENZAMIDINE, ... | 著者 | Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, Y, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S. | 登録日 | 2021-07-28 | 公開日 | 2022-06-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase. Acs Chem.Biol., 17, 2022
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4NIE
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6INH
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![BU of 6inh by Molmil](/molmil-images/mine/6inh) | A glycosyltransferase with UDP and the substrate | 分子名称: | 1-O-[(8alpha,9beta,10alpha,13alpha)-13-(beta-D-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose, GLYCEROL, UDP-glycosyltransferase 76G1, ... | 著者 | Zhu, X. | 登録日 | 2018-10-25 | 公開日 | 2019-07-31 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations. Nat Commun, 10, 2019
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6ING
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![BU of 6ing by Molmil](/molmil-images/mine/6ing) | |
6KJY
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![BU of 6kjy by Molmil](/molmil-images/mine/6kjy) | Galectin-13 variant C136S/C138S | 分子名称: | Galactoside-binding soluble lectin 13 | 著者 | Su, J. | 登録日 | 2019-07-23 | 公開日 | 2019-10-16 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Galectin-13/placental protein 13: redox-active disulfides as switches for regulating structure, function and cellular distribution. Glycobiology, 30, 2020
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6KJW
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![BU of 6kjw by Molmil](/molmil-images/mine/6kjw) | Galectin-13 variant C136S | 分子名称: | Galactoside-binding soluble lectin 13 | 著者 | Su, J. | 登録日 | 2019-07-23 | 公開日 | 2019-10-16 | 最終更新日 | 2020-02-19 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | Galectin-13/placental protein 13: redox-active disulfides as switches for regulating structure, function and cellular distribution. Glycobiology, 30, 2020
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6KJX
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![BU of 6kjx by Molmil](/molmil-images/mine/6kjx) | Galectin-13 variant C138S | 分子名称: | Galactoside-binding soluble lectin 13 | 著者 | Su, J. | 登録日 | 2019-07-23 | 公開日 | 2019-10-16 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Galectin-13/placental protein 13: redox-active disulfides as switches for regulating structure, function and cellular distribution. Glycobiology, 30, 2020
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7FIC
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![BU of 7fic by Molmil](/molmil-images/mine/7fic) | |
7XPN
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![BU of 7xpn by Molmil](/molmil-images/mine/7xpn) | |
2QT0
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![BU of 2qt0 by Molmil](/molmil-images/mine/2qt0) | Human nicotinamide riboside kinase 1 in complex with nicotinamide riboside and an ATP analogue | 分子名称: | MAGNESIUM ION, Nicotinamide riboside, Nicotinamide riboside kinase 1, ... | 著者 | Rabeh, W.M, Tempel, W, Nedyalkova, L, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Brenner, C, Park, H, Structural Genomics Consortium (SGC) | 登録日 | 2007-07-31 | 公開日 | 2007-08-14 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Nicotinamide Riboside Kinase Structures Reveal New Pathways to NAD(+). Plos Biol., 5, 2007
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6U09
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6U06
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8D1G
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![BU of 8d1g by Molmil](/molmil-images/mine/8d1g) | hBest2 Ca2+-bound open state | 分子名称: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin-2, ... | 著者 | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | 登録日 | 2022-05-27 | 公開日 | 2022-07-13 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (2.07 Å) | 主引用文献 | Structures and gating mechanisms of human bestrophin anion channels. Nat Commun, 13, 2022
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8D1O
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![BU of 8d1o by Molmil](/molmil-images/mine/8d1o) | hBest1_345 Ca2+-bound open state | 分子名称: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bestrophin-1, CALCIUM ION | 著者 | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | 登録日 | 2022-05-27 | 公開日 | 2022-07-13 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (2.44 Å) | 主引用文献 | Structures and gating mechanisms of human bestrophin anion channels. Nat Commun, 13, 2022
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8D1I
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![BU of 8d1i by Molmil](/molmil-images/mine/8d1i) | hBest1 1uM Ca2+ (Ca2+-bound) closed state | 分子名称: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bestrophin-1, CALCIUM ION | 著者 | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | 登録日 | 2022-05-27 | 公開日 | 2022-07-13 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (1.82 Å) | 主引用文献 | Structures and gating mechanisms of human bestrophin anion channels. Nat Commun, 13, 2022
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8D1K
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![BU of 8d1k by Molmil](/molmil-images/mine/8d1k) | hBest1 Ca2+-bound partially open neck state | 分子名称: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bestrophin-1, CALCIUM ION | 著者 | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | 登録日 | 2022-05-27 | 公開日 | 2022-07-13 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (2.28 Å) | 主引用文献 | Structures and gating mechanisms of human bestrophin anion channels. Nat Commun, 13, 2022
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8D1F
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![BU of 8d1f by Molmil](/molmil-images/mine/8d1f) | hBest2 5mM Ca2+ (Ca2+-bound) closed state | 分子名称: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin-2, ... | 著者 | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | 登録日 | 2022-05-27 | 公開日 | 2022-07-13 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (1.82 Å) | 主引用文献 | Structures and gating mechanisms of human bestrophin anion channels. Nat Commun, 13, 2022
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8D1N
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![BU of 8d1n by Molmil](/molmil-images/mine/8d1n) | bBest2_345 Ca2+-bound open state | 分子名称: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin, ... | 著者 | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | 登録日 | 2022-05-27 | 公開日 | 2022-07-13 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (1.93 Å) | 主引用文献 | Structures and gating mechanisms of human bestrophin anion channels. Nat Commun, 13, 2022
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8D1E
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![BU of 8d1e by Molmil](/molmil-images/mine/8d1e) | hBest2 1uM Ca2+ (Ca2+-bound) closed state | 分子名称: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin-2, ... | 著者 | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | 登録日 | 2022-05-27 | 公開日 | 2022-07-13 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (1.78 Å) | 主引用文献 | Structures and gating mechanisms of human bestrophin anion channels. Nat Commun, 13, 2022
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8D1J
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![BU of 8d1j by Molmil](/molmil-images/mine/8d1j) | hBest1 5mM Ca2+ (Ca2+-bound) closed state | 分子名称: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bestrophin-1, CALCIUM ION | 著者 | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | 登録日 | 2022-05-27 | 公開日 | 2022-07-13 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (2.05 Å) | 主引用文献 | Structures and gating mechanisms of human bestrophin anion channels. Nat Commun, 13, 2022
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8D1L
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![BU of 8d1l by Molmil](/molmil-images/mine/8d1l) | hBest1 Ca2+-bound partially open aperture state | 分子名称: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bestrophin-1, CALCIUM ION, ... | 著者 | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | 登録日 | 2022-05-27 | 公開日 | 2022-07-13 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (2.12 Å) | 主引用文献 | Structures and gating mechanisms of human bestrophin anion channels. Nat Commun, 13, 2022
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8D1M
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8D1H
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![BU of 8d1h by Molmil](/molmil-images/mine/8d1h) | hBest2 Ca2+-unbound closed state | 分子名称: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin-2, ... | 著者 | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | 登録日 | 2022-05-27 | 公開日 | 2022-07-13 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (1.94 Å) | 主引用文献 | Structures and gating mechanisms of human bestrophin anion channels. Nat Commun, 13, 2022
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8YLB
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![BU of 8ylb by Molmil](/molmil-images/mine/8ylb) | Cocrystal structures of agonists compound 1 with HsClpP | 分子名称: | 5-[(2-methylphenyl)methyl]-11-(phenylmethyl)-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),6-dien-8-one, ATP-dependent Clp protease proteolytic subunit, mitochondrial | 著者 | Zhao, N, Zhu, Y, Bao, R. | 登録日 | 2024-03-06 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Rational Design of a Novel Class of Human ClpP Agonists through a Ring-Opening Strategy with Enhanced Antileukemia Activity. J.Med.Chem., 67, 2024
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4XT9
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![BU of 4xt9 by Molmil](/molmil-images/mine/4xt9) | RORgamma (263-509) complexed with GSK2435341A and SRC2 | 分子名称: | LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, N-[4-(2,5-dichlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, ... | 著者 | Wang, Y, Ma, Y. | 登録日 | 2015-01-23 | 公開日 | 2015-08-12 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Discovery of N-(4-aryl-5-aryloxy-thiazol-2-yl)-amides as potent ROR gamma t inverse agonists Bioorg.Med.Chem., 23, 2015
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