5EYK
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![BU of 5eyk by Molmil](/molmil-images/mine/5eyk) | CRYSTAL STRUCTURE OF AURORA B IN COMPLEX WITH BI 847325 | 分子名称: | 3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide, Aurora kinase B-A, Inner centromere protein A | 著者 | Bader, G, Zoephel, A. | 登録日 | 2015-11-25 | 公開日 | 2016-08-17 | 最終更新日 | 2016-10-19 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Pharmacological Profile of BI 847325, an Orally Bioavailable, ATP-Competitive Inhibitor of MEK and Aurora Kinases. Mol.Cancer Ther., 15, 2016
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6BFB
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![BU of 6bfb by Molmil](/molmil-images/mine/6bfb) | Crystal structure of a F. nucleatum FMN riboswitch bound to WG-3 | 分子名称: | 5-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-6-fluoro-4-methyl-8-oxo-3,4-dihydro-8H-1-thia-4,9b-diazacyclopenta[cd]phenalene-9-carboxylic acid, MAGNESIUM ION, RNA (54-MER), ... | 著者 | Rizvi, N.F, Fischmann, T.O. | 登録日 | 2017-10-26 | 公開日 | 2018-02-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.82 Å) | 主引用文献 | Discovery of Selective RNA-Binding Small Molecules by Affinity-Selection Mass Spectrometry. ACS Chem. Biol., 13, 2018
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6UGO
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![BU of 6ugo by Molmil](/molmil-images/mine/6ugo) | Human Carbonic Anhydrase IX-mimic complexed with SB4-205 | 分子名称: | 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, CITRIC ACID, Carbonic anhydrase IX-mimic, ... | 著者 | Murray, A.B, McKenna, R, Lomelino, C.L. | 登録日 | 2019-09-26 | 公開日 | 2019-12-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.457 Å) | 主引用文献 | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII. J.Med.Chem., 63, 2020
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8PE4
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6UGP
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![BU of 6ugp by Molmil](/molmil-images/mine/6ugp) | Human Carbonic Anhydrase 2 complexed with SB4-206 | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ... | 著者 | Murray, A.B, Lomelino, C.L, McKenna, R. | 登録日 | 2019-09-26 | 公開日 | 2019-12-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.306 Å) | 主引用文献 | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII. J.Med.Chem., 63, 2020
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5IKG
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![BU of 5ikg by Molmil](/molmil-images/mine/5ikg) | |
8ORC
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![BU of 8orc by Molmil](/molmil-images/mine/8orc) | Mus Musculus Acetylcholinesterase in complex with AL237 | 分子名称: | 1-[2-(dimethylamino)ethyl]-3-(2-methoxyphenyl)thiourea, 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, 2-(2-METHOXYETHOXY)ETHANOL, ... | 著者 | Ekstrom, F.E, Linusson, A. | 登録日 | 2023-04-13 | 公開日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Enzyme Dynamics Determine Potency and Selectivity of Inhibitors Targeting Disease-Transmitting Mosquitoes To Be Published
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6VJ3
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![BU of 6vj3 by Molmil](/molmil-images/mine/6vj3) | Carbonic Anhydrase II in complex with pyrimidine-based inhibitor | 分子名称: | 2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Lomelino, C.L, McKenna, R. | 登録日 | 2020-01-14 | 公開日 | 2020-03-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Inclusion of a 5-fluorouracil moiety in nitrogenous bases derivatives as human carbonic anhydrase IX and XII inhibitors produced a targeted action against MDA-MB-231 and T47D breast cancer cells. Eur.J.Med.Chem., 190, 2020
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6KF1
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![BU of 6kf1 by Molmil](/molmil-images/mine/6kf1) | Microbial Hormone-sensitive lipase- E53 mutant S162A | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HEXANOIC ACID, ... | 著者 | Xiaochen, Y, Zhengyang, L, Xuewei, X, Jixi, L. | 登録日 | 2019-07-05 | 公開日 | 2020-07-08 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.996 Å) | 主引用文献 | Functional and Structural Insights into Environmental Adaptation of a Novel Hormone-sensitive Lipase, E53, Obtained from Erythrobacter longus To Be Published
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4YJV
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6EQ9
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![BU of 6eq9 by Molmil](/molmil-images/mine/6eq9) | Crystal structure of JNK3 in complex with AMP-PCP | 分子名称: | BETA-MERCAPTOETHANOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Macedo, J.T, Stehle, T, Blaum, B.S. | 登録日 | 2017-10-12 | 公開日 | 2018-08-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38 alpha Mitogen-Activated Protein Kinase to c-Jun N-Terminal Kinase 3. ACS Omega, 3, 2018
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6E9L
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6E9W
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6EKD
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![BU of 6ekd by Molmil](/molmil-images/mine/6ekd) | Crystal structure of JNK3 in complex with a pyridinylimidazole inhibitor | 分子名称: | 1,2-ETHANEDIOL, 4-(4-methyl-2-methylsulfanyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine, BETA-MERCAPTOETHANOL, ... | 著者 | Macedo, J.T, Stehle, T, Blaum, B.S. | 登録日 | 2017-09-26 | 公開日 | 2018-08-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38 alpha Mitogen-Activated Protein Kinase to c-Jun N-Terminal Kinase 3. ACS Omega, 3, 2018
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6ED6
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6EK8
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6EMH
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![BU of 6emh by Molmil](/molmil-images/mine/6emh) | Crystal structure of JNK3 in complex with a pyridinylimidazole inhibitor | 分子名称: | 1,2-ETHANEDIOL, 4-(4-methyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine, BETA-MERCAPTOETHANOL, ... | 著者 | Macedo, J.T, Stehle, T, Blaum, B.S. | 登録日 | 2017-10-02 | 公開日 | 2018-08-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38 alpha Mitogen-Activated Protein Kinase to c-Jun N-Terminal Kinase 3. ACS Omega, 3, 2018
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6TME
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![BU of 6tme by Molmil](/molmil-images/mine/6tme) | Monomeric LRX8 in complex with RALF4. | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(3-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Moussu, S, Caroline, C, Santos-Fernandez, G, Wehrle, S, Grossniklaus, U, Santiago, J. | 登録日 | 2019-12-04 | 公開日 | 2020-03-18 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Structural basis for recognition of RALF peptides by LRX proteins during pollen tube growth. Proc.Natl.Acad.Sci.USA, 117, 2020
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6EK4
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6EL1
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![BU of 6el1 by Molmil](/molmil-images/mine/6el1) | YaxAB pore complex | 分子名称: | YaxA, YaxB | 著者 | Braeuning, B, Bertosin, E, Dietz, H, Groll, M. | 登録日 | 2017-09-27 | 公開日 | 2018-05-16 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (6.1 Å) | 主引用文献 | Structure and mechanism of the two-component alpha-helical pore-forming toxin YaxAB. Nat Commun, 9, 2018
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6EK7
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![BU of 6ek7 by Molmil](/molmil-images/mine/6ek7) | YaxA from Yersinia enterocolitica | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, YaxA | 著者 | Braeuning, B, Groll, M. | 登録日 | 2017-09-25 | 公開日 | 2018-05-16 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure and mechanism of the two-component alpha-helical pore-forming toxin YaxAB. Nat Commun, 9, 2018
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6E99
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6YHG
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![BU of 6yhg by Molmil](/molmil-images/mine/6yhg) | Thrombin in complex with D-Phe-Pro-m-methoxybenzylamide derivative (16a) | 分子名称: | 1-(3-methoxyphenyl)methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, D-PHENYLALANINE, ... | 著者 | Sandner, A, Heine, A, Klebe, G, Collins, C. | 登録日 | 2020-03-29 | 公開日 | 2021-04-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Thrombin in complex with D-Phe-Pro-m-methoxybenzylamide derivative (16a) To be published
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6YHJ
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![BU of 6yhj by Molmil](/molmil-images/mine/6yhj) | Thrombin in complex with D-Phe-Pro-2-chlorothiophen derivative (16e) | 分子名称: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Sandner, A, Heine, A, Klebe, G, Collins, C. | 登録日 | 2020-03-30 | 公開日 | 2021-04-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Thrombin in complex with D-Phe-Pro-2-chlorothiophen derivative (16e) To be published
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3LSA
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![BU of 3lsa by Molmil](/molmil-images/mine/3lsa) | Padron0.9-OFF (non-fluorescent state) | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Padron0.9, ... | 著者 | Brakemann, T, Weber, G, Trowitzsch, S, Wahl, M.C, Jakobs, S. | 登録日 | 2010-02-12 | 公開日 | 2010-03-16 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Molecular basis of the light-driven switching of the photochromic fluorescent protein Padron. J.Biol.Chem., 285, 2010
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