6AVD
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6AXJ
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7BI5
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![BU of 7bi5 by Molmil](/molmil-images/mine/7bi5) | Human CA II in complex with benzyl alcohol | 分子名称: | Carbonic anhydrase 2, ZINC ION, phenylmethanol | 著者 | Alterio, V, De Simone, G. | 登録日 | 2021-01-12 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Benzyl alcohol inhibits carbonic anhydrases by anchoring to the zinc coordinated water molecule. Biochem.Biophys.Res.Commun., 548, 2021
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6AY8
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4XZU
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6B5F
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![BU of 6b5f by Molmil](/molmil-images/mine/6b5f) | Crystal structure of nicotinate mononucleotide-5,6-dimethylbenzimidazole phosphoribosyltransferase CobT from Yersinia enterocolitica | 分子名称: | CHLORIDE ION, GLYCEROL, Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase, ... | 著者 | Stogios, P.J, Skarina, T, McChesney, C, Grimshaw, T, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2017-09-29 | 公開日 | 2017-10-18 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Crystal structure of nicotinate mononucleotide-5,6-dimethylbenzimidazole phosphoribosyltransferase CobT from Yersinia enterocolitica To Be Published
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6B65
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![BU of 6b65 by Molmil](/molmil-images/mine/6b65) | IMPase (AF2372) R92Q/K164E | 分子名称: | DI(HYDROXYETHYL)ETHER, Fructose-1,6-bisphosphatase/inositol-1-monophosphatase, ISOPROPYL ALCOHOL, ... | 著者 | Goldstein, R.I, Roberts, M. | 登録日 | 2017-10-01 | 公開日 | 2018-10-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.702 Å) | 主引用文献 | Osmolyte binding capacity of a dual action IMPase/FBPase (AF2372) To Be Published
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5CLU
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![BU of 5clu by Molmil](/molmil-images/mine/5clu) | THE CRYSTAL STRUCTURE OF THE COMPLEX of HCAII WITH A SACCHARINE DERIVATIVE | 分子名称: | (1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetic acid, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | D'Ambrosio, K, De Simone, G. | 登録日 | 2015-07-16 | 公開日 | 2015-11-11 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | A Combined Crystallographic and Theoretical Study Explains the Capability of Carboxylic Acids to Adopt Multiple Binding Modes in the Active Site of Carbonic Anhydrases. Chemistry, 22, 2016
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6BTL
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![BU of 6btl by Molmil](/molmil-images/mine/6btl) | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor RD117 1-[2-(Piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole | 分子名称: | 1-[2-(piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Bryson, S, De Gasparo, R, Krauth-Siegel, R.L, Diederich, F, Pai, E.F. | 登録日 | 2017-12-06 | 公開日 | 2018-06-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.797 Å) | 主引用文献 | Biological Evaluation and X-ray Co-crystal Structures of Cyclohexylpyrrolidine Ligands for Trypanothione Reductase, an Enzyme from the Redox Metabolism of Trypanosoma. ChemMedChem, 13, 2018
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5FCZ
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5CBK
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![BU of 5cbk by Molmil](/molmil-images/mine/5cbk) | Crystal structure of the strigolactone receptor ShHTL5 from Striga hermonthica | 分子名称: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Stogios, P.J, Onopriyenko, O, Yim, V, Savchenko, A. | 登録日 | 2015-07-01 | 公開日 | 2015-10-21 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.462 Å) | 主引用文献 | Structure-function analysis identifies highly sensitive strigolactone receptors in Striga. Science, 350, 2015
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6C18
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![BU of 6c18 by Molmil](/molmil-images/mine/6c18) | FGFR1 kinase complex with inhibitor SN37115 | 分子名称: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-[(propan-2-yl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Fibroblast growth factor receptor 1, SULFATE ION | 著者 | Yosaatmadja, Y, Smaill, J.B, Squire, C.J. | 登録日 | 2018-01-04 | 公開日 | 2019-01-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Understanding the structural requirements for covalent inhibition of FGFR1-3 To Be Published
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4W1U
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7BTJ
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5CGP
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7BUK
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![BU of 7buk by Molmil](/molmil-images/mine/7buk) | T1 lipase mutant - 5M (D43E/T118N/E226D/E250L/N304E) | 分子名称: | CALCIUM ION, Lipase, ZINC ION | 著者 | Ishak, S.N.H, Rahman, R.N.Z.R.A, Ali, M.S.M, Leow, A.T.C, Kamarudin, N.H.A. | 登録日 | 2020-04-07 | 公開日 | 2021-04-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.644 Å) | 主引用文献 | Structure elucidation and docking analysis of 5M mutant of T1 lipase Geobacillus zalihae. Plos One, 16, 2021
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2F15
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![BU of 2f15 by Molmil](/molmil-images/mine/2f15) | Glycogen-Binding Domain Of The Amp-Activated Protein Kinase beta2 Subunit | 分子名称: | 5'-AMP-activated protein kinase, beta-2 subunit | 著者 | Walker, J.R, Wybenga-Groot, L, Finerty Jr, P.J, Newman, E, MacKenzie, F.M, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | 登録日 | 2005-11-14 | 公開日 | 2005-12-27 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure of the Glycogen-Binding Domain Of The Amp-Activated Protein Kinase beta2 Subunit To be Published
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7BUZ
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8B7Z
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![BU of 8b7z by Molmil](/molmil-images/mine/8b7z) | Bacterial chalcone isomerase H33A with taxifolin | 分子名称: | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | 著者 | Palm, G.J, Hinrichs, W. | 登録日 | 2022-10-03 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural Basis for (2 R ,3 R )-Taxifolin Binding and Reaction Products to the Bacterial Chalcone Isomerase of Eubacterium ramulus . Molecules, 27, 2022
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4ZN7
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![BU of 4zn7 by Molmil](/molmil-images/mine/4zn7) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Diethylstilbestrol | 分子名称: | DIETHYLSTILBESTROL, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | 登録日 | 2015-05-04 | 公開日 | 2016-05-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.934 Å) | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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7A13
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4YXZ
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6ZS8
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7AN5
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![BU of 7an5 by Molmil](/molmil-images/mine/7an5) | Enzyme of biosynthetic pathway | 分子名称: | 3-[(1-Carboxyvinyl)oxy]benzoic acid, Chorismate dehydratase | 著者 | Archna, A, Breithaupt, C, Stubbs, M.T. | 登録日 | 2020-10-11 | 公開日 | 2022-04-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Mechanism of chorismate dehydratase MqnA, the first enzyme of the futalosine pathway, proceeds via substrate-assisted catalysis J.Biol.Chem., 2022
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7AN6
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![BU of 7an6 by Molmil](/molmil-images/mine/7an6) | Enzyme of biosynthetic pathway | 分子名称: | (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid, Chorismate dehydratase, GLYCEROL | 著者 | Archna, A, Breithaupt, C, Stubbs, M.T. | 登録日 | 2020-10-11 | 公開日 | 2022-04-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Mechanism of chorismate dehydratase MqnA, the first enzyme of the futalosine pathway, proceeds via substrate-assisted catalysis J.Biol.Chem., 2022
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