8J03
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![BU of 8j03 by Molmil](/molmil-images/mine/8j03) | |
5ZFJ
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![BU of 5zfj by Molmil](/molmil-images/mine/5zfj) | Crystal structure of a cyclase Filc from Fischerella sp. in complex with 4-(1H-Indol-3-yl)butan-2-one | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(1~{H}-indol-3-yl)butan-2-one, CALCIUM ION, ... | 著者 | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | 登録日 | 2018-03-06 | 公開日 | 2018-12-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
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6A98
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![BU of 6a98 by Molmil](/molmil-images/mine/6a98) | Crystal structure of a cyclase from Fischerella sp. TAU | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, aromatic prenyltransferase, ... | 著者 | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | 登録日 | 2018-07-12 | 公開日 | 2018-12-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
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6A8X
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![BU of 6a8x by Molmil](/molmil-images/mine/6a8x) | Crystal structure of a apo form cyclase from Fischerella sp. | 分子名称: | CALCIUM ION, aromatic prenyltransferase | 著者 | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | 登録日 | 2018-07-11 | 公開日 | 2018-12-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
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6A92
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![BU of 6a92 by Molmil](/molmil-images/mine/6a92) | Crystal structure of a cyclase Filc1 from Fischerella sp. | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, TETRAETHYLENE GLYCOL, ... | 著者 | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | 登録日 | 2018-07-11 | 公開日 | 2018-12-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
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6A99
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![BU of 6a99 by Molmil](/molmil-images/mine/6a99) | Crystal structure of a Stig cyclases Fisc from Fischerella sp. TAU in complex with (3Z)-3-(1-methyl-2-pyrrolidinylidene)-3H-indole | 分子名称: | (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole, CALCIUM ION, MAGNESIUM ION, ... | 著者 | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | 登録日 | 2018-07-12 | 公開日 | 2018-12-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
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6ADU
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![BU of 6adu by Molmil](/molmil-images/mine/6adu) | Crystal structure of an enzyme in complex with ligand C | 分子名称: | (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | 著者 | Tan, X.K, Liu, W.D, Chen, C.C, Guo, R.T. | 登録日 | 2018-08-02 | 公開日 | 2019-08-21 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement. Angew.Chem.Int.Ed.Engl., 57, 2018
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5HP2
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![BU of 5hp2 by Molmil](/molmil-images/mine/5hp2) | Human Adenosine Deaminase Acting on dsRNA (ADAR2) bound to dsRNA sequence derived from S. cerevisiae BDF2 gene with AU basepair at reaction site | 分子名称: | Double-stranded RNA-specific editase 1, INOSITOL HEXAKISPHOSPHATE, RNA (5'-R(*GP*AP*CP*UP*GP*AP*AP*CP*GP*AP*CP*UP*AP*AP*UP*GP*UP*GP*GP*GP*GP*AP*A)-3'), ... | 著者 | Matthews, M.M, Fisher, A.J, Beal, P.A. | 登録日 | 2016-01-20 | 公開日 | 2016-04-13 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.983 Å) | 主引用文献 | Structures of human ADAR2 bound to dsRNA reveal base-flipping mechanism and basis for site selectivity. Nat.Struct.Mol.Biol., 23, 2016
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5HP3
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![BU of 5hp3 by Molmil](/molmil-images/mine/5hp3) | Human Adenosine Deaminase Acting on dsRNA (ADAR2) bound to dsRNA sequence derived from S. cerevisiae BDF2 gene with AC mismatch at reaction site | 分子名称: | Double-stranded RNA-specific editase 1, INOSITOL HEXAKISPHOSPHATE, RNA (5'-R(*GP*AP*CP*UP*GP*AP*AP*CP*GP*AP*CP*CP*AP*AP*UP*GP*UP*GP*GP*GP*GP*AP*A)-3'), ... | 著者 | Matthews, M.M, Fisher, A.J, Beal, P.A. | 登録日 | 2016-01-20 | 公開日 | 2016-04-13 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.091 Å) | 主引用文献 | Structures of human ADAR2 bound to dsRNA reveal base-flipping mechanism and basis for site selectivity. Nat.Struct.Mol.Biol., 23, 2016
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5HA9
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![BU of 5ha9 by Molmil](/molmil-images/mine/5ha9) | Crystal structure-based design and disovery of a novel PARP1 antiagonist (BL-PA10) that induces apoptosis and inhibits metastasis in triple negative breast cancer | 分子名称: | Amitriptyline, GLYCEROL, Poly [ADP-ribose] polymerase 1, ... | 著者 | Fu, L, Peng, H, Zhang, L, Ouyang, L. | 登録日 | 2015-12-30 | 公開日 | 2016-03-09 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (4.01 Å) | 主引用文献 | Crystal structure-based discovery of a novel synthesized PARP1 inhibitor (OL-1) with apoptosis-inducing mechanisms in triple-negative breast cancer. Sci Rep, 6, 2016
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6B0O
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![BU of 6b0o by Molmil](/molmil-images/mine/6b0o) | |
6B0P
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![BU of 6b0p by Molmil](/molmil-images/mine/6b0p) | |
6B0Q
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![BU of 6b0q by Molmil](/molmil-images/mine/6b0q) | |
6B0R
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![BU of 6b0r by Molmil](/molmil-images/mine/6b0r) | |
6BLW
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![BU of 6blw by Molmil](/molmil-images/mine/6blw) | |
5ZHE
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![BU of 5zhe by Molmil](/molmil-images/mine/5zhe) | STRUCTURE OF E. COLI UNDECAPRENYL DIPHOSPHATE SYNTHASE IN COMPLEX WITH BPH-981 | 分子名称: | 2-hydroxy-6-(tetradecyloxy)benzoic acid, Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 著者 | Gao, J, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T. | 登録日 | 2018-03-13 | 公開日 | 2019-03-13 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Discovery of Lipophilic Bisphosphonates That Target Bacterial Cell Wall and Quinone Biosynthesis. J.Med.Chem., 62, 2019
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6C83
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![BU of 6c83 by Molmil](/molmil-images/mine/6c83) | Structure of Aurora A (122-403) bound to inhibitory Monobody Mb2 and AMPPCP | 分子名称: | Aurora kinase A, Mb2 Monobody, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | 著者 | Hoemberger, M, Kutter, S, Zorba, A, Nguyen, V, Shohei, A, Shohei, K, Kern, D. | 登録日 | 2018-01-24 | 公開日 | 2019-02-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Allosteric modulation of a human protein kinase with monobodies. Proc.Natl.Acad.Sci.USA, 116, 2019
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7DWA
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![BU of 7dwa by Molmil](/molmil-images/mine/7dwa) | Structure of a novel beta-mannanase BaMan113A with mannotriose, N236Y mutation | 分子名称: | Endo-beta-1,4-mannanase, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose | 著者 | Liu, W.T, Liu, W.D, Zheng, Y.Y. | 登録日 | 2021-01-15 | 公開日 | 2021-06-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Functional and structural investigation of a novel beta-mannanase BaMan113A from Bacillus sp. N16-5. Int.J.Biol.Macromol., 182, 2021
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7DW8
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![BU of 7dw8 by Molmil](/molmil-images/mine/7dw8) | Structure of a novel beta-mannanase BaMan113A with mannobiose, N236Y mutation. | 分子名称: | Endo-beta-1,4-mannanase, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose | 著者 | Liu, W.T, Liu, W.D, Zheng, Y.Y. | 登録日 | 2021-01-15 | 公開日 | 2021-06-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Functional and structural investigation of a novel beta-mannanase BaMan113A from Bacillus sp. N16-5. Int.J.Biol.Macromol., 182, 2021
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7DVZ
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![BU of 7dvz by Molmil](/molmil-images/mine/7dvz) | |
5ZE6
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![BU of 5ze6 by Molmil](/molmil-images/mine/5ze6) | CRYSTAL STRUCTURE OF OCTAPRENYL PYROPHOSPHATE SYNTHASE FROM ESCHERICHIA COLI WITH BPH-981 | 分子名称: | 2-hydroxy-6-(tetradecyloxy)benzoic acid, MAGNESIUM ION, Octaprenyl diphosphate synthase | 著者 | Han, X, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T. | 登録日 | 2018-02-26 | 公開日 | 2019-02-27 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of Lipophilic Bisphosphonates That Target Bacterial Cell Wall and Quinone Biosynthesis. J.Med.Chem., 62, 2019
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5ZLF
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![BU of 5zlf by Molmil](/molmil-images/mine/5zlf) | CRYSTAL STRUCTURE OF OCTAPRENYL PYROPHOSPHATE SYNTHASE FROM ESCHERICHIA COLI WITH ligand BPH-629 | 分子名称: | MAGNESIUM ION, Octaprenyl diphosphate synthase, [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID | 著者 | Han, X, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T. | 登録日 | 2018-03-27 | 公開日 | 2019-03-27 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.845 Å) | 主引用文献 | Discovery of Lipophilic Bisphosphonates That Target Bacterial Cell Wall and Quinone Biosynthesis. J.Med.Chem., 62, 2019
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2M6Z
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![BU of 2m6z by Molmil](/molmil-images/mine/2m6z) | |
5XXY
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![BU of 5xxy by Molmil](/molmil-images/mine/5xxy) | |
3TGE
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![BU of 3tge by Molmil](/molmil-images/mine/3tge) | A novel series of potent and selective PDE5 inhibitor1 | 分子名称: | 7-(6-methoxypyridin-3-yl)-3-{[2-(morpholin-4-yl)ethyl]amino}-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1H)-one, MAGNESIUM ION, ZINC ION, ... | 著者 | Han, S. | 登録日 | 2011-08-17 | 公開日 | 2011-11-09 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Investigation of the pyrazinones as PDE5 inhibitors: Evaluation of regioisomeric projections into the solvent region. Bioorg.Med.Chem.Lett., 21, 2011
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