6JMI
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![BU of 6jmi by Molmil](/molmil-images/mine/6jmi) | Crystal structure of M.tuberculosis Rv0081 | 分子名称: | SULFATE ION, Uncharacterized HTH-type transcriptional regulator Rv0081 | 著者 | Kumar, A, Phulera, S, Mande, C.S. | 登録日 | 2019-03-11 | 公開日 | 2019-04-10 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.896 Å) | 主引用文献 | Structural basis of hypoxic gene regulation by the Rv0081 transcription factor of Mycobacterium tuberculosis. Febs Lett., 593, 2019
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7PR6
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![BU of 7pr6 by Molmil](/molmil-images/mine/7pr6) | Crystal structure of E. coli beta-glucuronidase in complex with covalent inhibitor ME727 | 分子名称: | (2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Beta-glucuronidase | 著者 | Wu, L, Armstrong, Z, Davies, G.J. | 登録日 | 2021-09-20 | 公開日 | 2022-08-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo. Proc.Natl.Acad.Sci.USA, 119, 2022
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7PR9
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![BU of 7pr9 by Molmil](/molmil-images/mine/7pr9) | Crystal structure of Burkholderia pseudomallei heparanase in complex with covalent inhibitor VL166 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Glyco_hydro_44 domain-containing protein | 著者 | Wu, L, Armstrong, Z, Davies, G.J. | 登録日 | 2021-09-21 | 公開日 | 2022-08-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo. Proc.Natl.Acad.Sci.USA, 119, 2022
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8A36
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7PZV
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![BU of 7pzv by Molmil](/molmil-images/mine/7pzv) | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | 分子名称: | (2S,4S)-N-[(3R,5R)-1-cyclopropylcarbonyl-5-[[[4-[2-[4-[(1S)-2-methoxy-1-oxidanyl-ethyl]phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | 著者 | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | 登録日 | 2021-10-13 | 公開日 | 2022-11-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria To Be Published
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8A4G
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7L1A
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![BU of 7l1a by Molmil](/molmil-images/mine/7l1a) | Human Methionine Adenosyltransferase 2A bound to Methylthioadenosine and inhibitor, di-imido triphosphate (PNPNP) | 分子名称: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, ALANINE, MAGNESIUM ION, ... | 著者 | Niland, C.N, Fedorov, E, Schramm, V.L, Ghosh, A. | 登録日 | 2020-12-14 | 公開日 | 2021-03-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Mechanism and Inhibition of Human Methionine Adenosyltransferase 2A. Biochemistry, 60, 2021
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6F0O
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![BU of 6f0o by Molmil](/molmil-images/mine/6f0o) | Botulinum neurotoxin A3 Hc domain | 分子名称: | 1,2-ETHANEDIOL, Bontoxilysin A, PENTAETHYLENE GLYCOL, ... | 著者 | Davies, J.R, Liu, S.M, Acharya, K.R. | 登録日 | 2017-11-20 | 公開日 | 2018-01-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | High resolution crystal structures of Clostridium botulinum neurotoxin A3 and A4 binding domains. J. Struct. Biol., 202, 2018
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8A0N
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7PTJ
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7PZU
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![BU of 7pzu by Molmil](/molmil-images/mine/7pzu) | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | 分子名称: | (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((3-fluoro-4-((4-(morpholinomethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | 著者 | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | 登録日 | 2021-10-13 | 公開日 | 2022-11-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria To Be Published
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6F0T
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![BU of 6f0t by Molmil](/molmil-images/mine/6f0t) | Crystal structure of Pizza6-SFW | 分子名称: | GLYCEROL, Pizza6-SFW | 著者 | Noguchi, H, De Zitter, E, Van Meervelt, L, Voet, A.R.D. | 登録日 | 2017-11-20 | 公開日 | 2018-03-21 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Design of tryptophan-containing mutants of the symmetrical Pizza protein for biophysical studies. Biochem. Biophys. Res. Commun., 497, 2018
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6YI4
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![BU of 6yi4 by Molmil](/molmil-images/mine/6yi4) | Structure of IMP-13 metallo-beta-lactamase complexed with citrate anion | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ... | 著者 | Zak, K.M, Zhou, R.X, Softley, C.A, Bostock, M.J, Sattler, M, Popowicz, G.M. | 登録日 | 2020-03-31 | 公開日 | 2020-04-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure of IMP-13 metallo-beta-lactamase complexed with citrate anion Not published
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8A91
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6F11
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![BU of 6f11 by Molmil](/molmil-images/mine/6f11) | GLIC mutant D86A | 分子名称: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | 著者 | Hu, H.D, Delarue, M. | 登録日 | 2017-11-21 | 公開日 | 2018-01-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel. PLoS Biol., 15, 2017
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8A39
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![BU of 8a39 by Molmil](/molmil-images/mine/8a39) | Crystal Structure of PaaX from Escherichia coli W | 分子名称: | DNA-binding transcriptional repressor of phenylacetic acid degradation, aryl-CoA responsive, GLYCEROL, ... | 著者 | Molina, R, Alba-Perez, A, Hermoso, J.A. | 登録日 | 2022-06-07 | 公開日 | 2023-07-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural characterization of PaaX, the main repressor of the phenylacetate degradation pathway in Escherichia coli W: A novel fold of transcription regulator proteins. Int.J.Biol.Macromol., 254, 2024
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6F09
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![BU of 6f09 by Molmil](/molmil-images/mine/6f09) | Binary complex of 14-3-3 zeta with ubiquitin specific protease 8 (USP8) pSer718 peptide | 分子名称: | 14-3-3 protein zeta/delta, Ubiquitin carboxyl-terminal hydrolase 8 | 著者 | Centorrino, F, Ballone, A, Ottmann, C, Guo, S, Leysen, S. | 登録日 | 2017-11-17 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.594 Å) | 主引用文献 | Biophysical and structural insight into the USP8/14-3-3 interaction. FEBS Lett., 592, 2018
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8A18
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![BU of 8a18 by Molmil](/molmil-images/mine/8a18) | 1.63 A resolution hydroquinone inhibited Sporosarcina pasteurii urease | 分子名称: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | 著者 | Mazzei, L, Ciurli, S, Cianci, M. | 登録日 | 2022-06-01 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Inhibition of Urease by Hydroquinones: A Structural and Kinetic Study. Chemistry, 28, 2022
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6F1O
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5UNY
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![BU of 5uny by Molmil](/molmil-images/mine/5uny) | Structure of rat neuronal nitric oxide synthase heme domain in complex with (RS)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile | 分子名称: | 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2R)-2-(methylamino)propyl]benzonitrile, 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2S)-2-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2017-01-31 | 公開日 | 2017-05-03 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
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6IYU
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![BU of 6iyu by Molmil](/molmil-images/mine/6iyu) | Crystal Structure Analysis of an Eukaryotic Membrane Protein | 分子名称: | CALCIUM ION, CHLORIDE ION, Trimeric intracellular cation channel type A | 著者 | Wang, X.H, Zeng, Y, Su, M, Gao, F, Chen, Y.H. | 登録日 | 2018-12-17 | 公開日 | 2019-05-01 | 最終更新日 | 2019-11-06 | 実験手法 | X-RAY DIFFRACTION (2.199 Å) | 主引用文献 | Structural basis for activity of TRIC counter-ion channels in calcium release. Proc.Natl.Acad.Sci.USA, 116, 2019
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6YJJ
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7Q01
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![BU of 7q01 by Molmil](/molmil-images/mine/7q01) | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | 分子名称: | (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-(((1R,2R)-2-(methoxymethyl)cyclopropyl)buta-1,3-diyn-1-yl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | 著者 | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | 登録日 | 2021-10-13 | 公開日 | 2022-11-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria To Be Published
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6F0V
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![BU of 6f0v by Molmil](/molmil-images/mine/6f0v) | GLIC mutant E82Q | 分子名称: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | 著者 | Hu, H.D, Delarue, M. | 登録日 | 2017-11-20 | 公開日 | 2018-01-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel. PLoS Biol., 15, 2017
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5UOB
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![BU of 5uob by Molmil](/molmil-images/mine/5uob) | Structure of human endothelial nitric oxide synthase heme domain in complex with (R)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2R)-2-(methylamino)propyl]benzonitrile, CHLORIDE ION, ... | 著者 | Chreifi, G, Li, H, Poulos, T.L. | 登録日 | 2017-01-31 | 公開日 | 2017-05-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.292 Å) | 主引用文献 | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
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