1LRQ
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![BU of 1lrq by Molmil](/molmil-images/mine/1lrq) | Aquifex aeolicus KDO8P synthase H185G mutant in complex with PEP, A5P and Cadmium | 分子名称: | ARABINOSE-5-PHOSPHATE, CADMIUM ION, KDO-8-phosphate synthetase, ... | 著者 | Wang, J, Duewel, H.S, Stuckey, J.A, Woodard, R.W, Gatti, D.L. | 登録日 | 2002-05-15 | 公開日 | 2002-11-27 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Function of His185 in Aquifex aeolicus 3-Deoxy-D-manno-octulosonate 8-Phosphate Synthase J.Mol.Biol., 324, 2002
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1LW3
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![BU of 1lw3 by Molmil](/molmil-images/mine/1lw3) | Crystal Structure of Myotubularin-related protein 2 complexed with phosphate | 分子名称: | Myotubularin-related protein 2, PHOSPHATE ION | 著者 | Begley, M.J, Taylor, G.S, Kim, S.-A, Veine, D.M, Dixon, J.E, Stuckey, J.A. | 登録日 | 2002-05-30 | 公開日 | 2003-10-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal Structure of a Phosphoinositide Phosphatase, MTMR2: Insights into Myotubular Myopathy and Charcot-Marie-Tooth Syndrome Mol.Cell, 12, 2003
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1XXV
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![BU of 1xxv by Molmil](/molmil-images/mine/1xxv) | Yersinia YopH (residues 163-468) binds phosphonodifluoromethyl-Phe containing hexapeptide at two sites | 分子名称: | Epidermal growth factor receptor derived peptide, Protein-tyrosine phosphatase yopH | 著者 | Ivanov, M.I, Stuckey, J.A, Schubert, H.L, Saper, M.A, Bliska, J.B. | 登録日 | 2004-11-08 | 公開日 | 2005-03-22 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Two substrate-targeting sites in the Yersinia protein tyrosine phosphatase co-operate to promote bacterial virulence Mol.Microbiol., 55, 2005
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1XXP
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![BU of 1xxp by Molmil](/molmil-images/mine/1xxp) | Yersinia YopH (residues 163-468) C403S binds phosphotyrosyl peptide at two sites | 分子名称: | Hexapeptide ASP-ALA-ASP-GLU-PTR-CLE, Protein-tyrosine phosphatase yopH | 著者 | Ivanov, M.I, Stuckey, J.A, Schubert, H.L, Saper, M.A, Bliska, J.B. | 登録日 | 2004-11-07 | 公開日 | 2005-03-22 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Two substrate-targeting sites in the Yersinia protein tyrosine phosphatase co-operate to promote bacterial virulence Mol.Microbiol., 55, 2005
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2R8X
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![BU of 2r8x by Molmil](/molmil-images/mine/2r8x) | Crystal structure of YrbI phosphatase from Escherichia coli | 分子名称: | 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase, CHLORIDE ION | 著者 | Tsodikov, O.V, Aggarwal, P, Rubin, J.R, Stuckey, J.A, Woodard, R.W, Biswas, T. | 登録日 | 2007-09-11 | 公開日 | 2008-09-23 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The Tail of KdsC: CONFORMATIONAL CHANGES CONTROL THE ACTIVITY OF A HALOACID DEHALOGENASE SUPERFAMILY PHOSPHATASE. J.Biol.Chem., 284, 2009
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2R8Y
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![BU of 2r8y by Molmil](/molmil-images/mine/2r8y) | Crystal structure of YrbI phosphatase from Escherichia coli in a complex with Ca | 分子名称: | CALCIUM ION, CHLORIDE ION, YrbI from Escherichia coli | 著者 | Tsodikov, O.V, Aggarwal, P, Rubin, J.R, Stuckey, J.A, Woodard, R.W, Biswas, T. | 登録日 | 2007-09-11 | 公開日 | 2008-09-23 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | The Tail of KdsC: CONFORMATIONAL CHANGES CONTROL THE ACTIVITY OF A HALOACID DEHALOGENASE SUPERFAMILY PHOSPHATASE. J.Biol.Chem., 284, 2009
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2R8E
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![BU of 2r8e by Molmil](/molmil-images/mine/2r8e) | Crystal structure of YrbI from Escherichia coli in complex with Mg | 分子名称: | 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase, CHLORIDE ION, MAGNESIUM ION | 著者 | Tsodikov, O.V, Aggarwal, P, Rubin, J.R, Stuckey, J.A, Woodard, R, Biswas, T. | 登録日 | 2007-09-10 | 公開日 | 2008-09-23 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | The Tail of KdsC: CONFORMATIONAL CHANGES CONTROL THE ACTIVITY OF A HALOACID DEHALOGENASE SUPERFAMILY PHOSPHATASE. J.Biol.Chem., 284, 2009
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2VSL
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![BU of 2vsl by Molmil](/molmil-images/mine/2vsl) | |
4EK5
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![BU of 4ek5 by Molmil](/molmil-images/mine/4ek5) | |
4EK8
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![BU of 4ek8 by Molmil](/molmil-images/mine/4ek8) | |
2X6P
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![BU of 2x6p by Molmil](/molmil-images/mine/2x6p) | Crystal Structure of Coil Ser L19C | 分子名称: | COIL SER L19C, ZINC ION | 著者 | Chakraborty, S, Touw, D.S, Peacock, A.F.A, Stuckey, J.A, Pecoraro, V.L. | 登録日 | 2010-02-18 | 公開日 | 2010-09-22 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural Comparisons of Apo- and Metalated Three-Stranded Coiled Coils Clarify Metal Binding Determinants in Thiolate Containing Designed Peptides. J.Am.Chem.Soc., 132, 2010
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4EK4
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![BU of 4ek4 by Molmil](/molmil-images/mine/4ek4) | |
2R8Z
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![BU of 2r8z by Molmil](/molmil-images/mine/2r8z) | Crystal structure of YrbI phosphatase from Escherichia coli in complex with a phosphate and a calcium ion | 分子名称: | 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase, CALCIUM ION, PHOSPHATE ION | 著者 | Tsodikov, O.V, Aggarwal, P, Rubin, J.R, Stuckey, J.A, Woodard, R.W, Biswas, T. | 登録日 | 2007-09-11 | 公開日 | 2008-09-23 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The Tail of KdsC: CONFORMATIONAL CHANGES CONTROL THE ACTIVITY OF A HALOACID DEHALOGENASE SUPERFAMILY PHOSPHATASE. J.Biol.Chem., 284, 2009
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4EK6
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![BU of 4ek6 by Molmil](/molmil-images/mine/4ek6) | |
4EK3
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![BU of 4ek3 by Molmil](/molmil-images/mine/4ek3) | |
6C7Q
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![BU of 6c7q by Molmil](/molmil-images/mine/6c7q) | BRD4 BD2 in complex with compound CE277 | 分子名称: | 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-1H-indazol-3-yl)-9H-pyrimido[4,5-b]indol-4-amine, Bromodomain-containing protein 4 | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2018-01-23 | 公開日 | 2018-08-01 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor. J. Med. Chem., 61, 2018
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6C7R
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![BU of 6c7r by Molmil](/molmil-images/mine/6c7r) | BRD4 BD1 in complex with compound CF53 | 分子名称: | Bromodomain-containing protein 4, N-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2018-01-23 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor. J. Med. Chem., 61, 2018
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6CJG
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![BU of 6cjg by Molmil](/molmil-images/mine/6cjg) | Human dihydroorotate dehydrogenase bound to napthyridine inhibitor 46 | 分子名称: | 2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid, 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, Dihydroorotate dehydrogenase (quinone), ... | 著者 | Petrunak, E.M, Stuckey, J.A. | 登録日 | 2018-02-26 | 公開日 | 2018-05-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.851 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase. J. Med. Chem., 61, 2018
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6CJF
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![BU of 6cjf by Molmil](/molmil-images/mine/6cjf) | Human dihydroorotate dehydrogenase bound to 4-quinoline carboxylic acid inhibitor 43 | 分子名称: | 2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid, 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, Dihydroorotate dehydrogenase (quinone), ... | 著者 | Petrunak, E.M, Stuckey, J.A. | 登録日 | 2018-02-26 | 公開日 | 2018-05-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase. J. Med. Chem., 61, 2018
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7KMU
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![BU of 7kmu by Molmil](/molmil-images/mine/7kmu) | Structure of WT Malaysian Banana Lectin | 分子名称: | 1,2-ETHANEDIOL, Jacalin-type lectin domain-containing protein | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2020-11-03 | 公開日 | 2021-01-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Targeted disruption of pi-pi stacking in Malaysian banana lectin reduces mitogenicity while preserving antiviral activity. Sci Rep, 11, 2021
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7KMV
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![BU of 7kmv by Molmil](/molmil-images/mine/7kmv) | Structure of Malaysian Banana Lectin F84T | 分子名称: | Jacalin-type lectin domain-containing protein, SULFATE ION | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2020-11-03 | 公開日 | 2021-01-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Targeted disruption of pi-pi stacking in Malaysian banana lectin reduces mitogenicity while preserving antiviral activity. Sci Rep, 11, 2021
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6U9K
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![BU of 6u9k by Molmil](/molmil-images/mine/6u9k) | MLL1 SET N3861I/Q3867L bound to inhibitor 18 (TC-5153) | 分子名称: | 5'-([(3S)-3-amino-3-carboxypropyl]{[1-(3,3-diphenylpropyl)azetidin-3-yl]methyl}amino)-5'-deoxyadenosine, GLYCEROL, Histone-lysine N-methyltransferase, ... | 著者 | Petrunak, E.M, Stuckey, J.A. | 登録日 | 2019-09-09 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase. Acs Med.Chem.Lett., 11, 2020
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6U6F
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![BU of 6u6f by Molmil](/molmil-images/mine/6u6f) | The crystal structure of anti-apoptotic Mcl-1 protein in complex with 2, 5-substituted benzoic acid inhibitor 21 | 分子名称: | 2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Yang, Y, Stuckey, J.A, Nikolovska-Coleska, Z. | 登録日 | 2019-08-29 | 公開日 | 2020-03-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins. J.Med.Chem., 63, 2020
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4PG1
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![BU of 4pg1 by Molmil](/molmil-images/mine/4pg1) | Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Bound | 分子名称: | (1S,2S)-2-nonylcyclopropanecarboxylic acid, Aldehyde decarbonylase, DIMETHYL SULFOXIDE, ... | 著者 | Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G. | 登録日 | 2014-05-01 | 公開日 | 2014-11-19 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound. Acs Chem.Biol., 9, 2014
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4PGI
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![BU of 4pgi by Molmil](/molmil-images/mine/4pgi) | Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Analogs Bound | 分子名称: | 1,2-ETHANEDIOL, 11-[2-(2-ethoxyethoxy)ethoxy]undecanal, Aldehyde decarbonylase, ... | 著者 | Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G. | 登録日 | 2014-05-02 | 公開日 | 2015-02-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound. Acs Chem.Biol., 9, 2014
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