5TZL
 
 | | Structure of transthyretin in complex with the kinetic stabilizer 201 | | 分子名称: | 4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodophenol, Transthyretin | | 著者 | Connelly, S, Mortenson, D.E, Choi, S, Wilson, I.A, Powers, E.T, Kelly, J.W, Johnson, S.M. | | 登録日 | 2016-11-21 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Semi-quantitative models for identifying potent and selective transthyretin amyloidogenesis inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5U88
 | | Crystal structure of a MerB-triimethyllead complex. | | 分子名称: | ACETATE ION, Alkylmercury lyase, Trimethyllead bromide | | 著者 | Wahba, H.M, Stevenson, M, Mansour, A, Sygusch, J, Wilcox, D.E, Omichinski, J.G. | | 登録日 | 2016-12-14 | | 公開日 | 2017-01-11 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | | 主引用文献 | Structural and Biochemical Characterization of Organotin and Organolead Compounds Binding to the Organomercurial Lyase MerB Provide New Insights into Its Mechanism of Carbon-Metal Bond Cleavage.
J. Am. Chem. Soc., 139, 2017
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5U7B
 | | Crystal structure of a the tin-bound form of MerB formed from Diethyltin. | | 分子名称: | ACETATE ION, Alkylmercury lyase, BROMIDE ION, ... | | 著者 | Wahba, H.M, Stevenson, M, Mansour, A, Sygusch, J, Wilcox, D.E, Omichinski, J.G. | | 登録日 | 2016-12-12 | | 公開日 | 2017-01-11 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural and Biochemical Characterization of Organotin and Organolead Compounds Binding to the Organomercurial Lyase MerB Provide New Insights into Its Mechanism of Carbon-Metal Bond Cleavage.
J. Am. Chem. Soc., 139, 2017
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5U7C
 | | Crystal structure of the lead-bound form of MerB formed from diethyllead. | | 分子名称: | ACETATE ION, Alkylmercury lyase, BROMIDE ION, ... | | 著者 | Wahba, H.M, Stevenson, M, Mansour, A, Sygusch, J, Wilcox, D.E, Omichinski, J.G. | | 登録日 | 2016-12-12 | | 公開日 | 2017-01-11 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural and Biochemical Characterization of Organotin and Organolead Compounds Binding to the Organomercurial Lyase MerB Provide New Insights into Its Mechanism of Carbon-Metal Bond Cleavage.
J. Am. Chem. Soc., 139, 2017
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5U82
 | | Crystal structure of a MerB-triethyltin complex | | 分子名称: | ACETATE ION, Alkylmercury lyase, BROMIDE ION, ... | | 著者 | Wahba, H.M, Stevenson, M, Mansour, A, Sygusch, J, Wilcox, D.E, Omichinski, J.G. | | 登録日 | 2016-12-13 | | 公開日 | 2017-01-11 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.851 Å) | | 主引用文献 | Structural and Biochemical Characterization of Organotin and Organolead Compounds Binding to the Organomercurial Lyase MerB Provide New Insights into Its Mechanism of Carbon-Metal Bond Cleavage.
J. Am. Chem. Soc., 139, 2017
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4DVG
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4DAJ
 | | Structure of the M3 Muscarinic Acetylcholine Receptor | | 分子名称: | (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, Muscarinic acetylcholine receptor M3, Lysozyme, ... | | 著者 | Kruse, A.C, Hu, J, Pan, A.C, Arlow, D.H, Rosenbaum, D.M, Rosemond, E, Green, H.F, Liu, T, Chae, P.S, Dror, R.O, Shaw, D.E, Weis, W.I, Wess, J, Kobilka, B. | | 登録日 | 2012-01-12 | | 公開日 | 2012-02-22 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Structure and dynamics of the M3 muscarinic acetylcholine receptor.
Nature, 482, 2012
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6WA2
 | | Crystal structure of EGFR(T790M/V948R) in complex with LN3753 | | 分子名称: | CHLORIDE ION, Epidermal growth factor receptor, N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-fluoro-5-hydroxybenzamide | | 著者 | Heppner, D.E, Eck, M.J. | | 登録日 | 2020-03-24 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Design of a "Two-in-One" Mutant-Selective Epidermal Growth Factor Receptor Inhibitor That Spans the Orthosteric and Allosteric Sites.
J.Med.Chem., 65, 2022
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6WAK
 | | A crystal structure of EGFR(T790M/V948R) in complex with LN3754 | | 分子名称: | Epidermal growth factor receptor, MAGNESIUM ION, N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzamide, ... | | 著者 | Heppner, D.E, Eck, M.J. | | 登録日 | 2020-03-25 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Design of a "Two-in-One" Mutant-Selective Epidermal Growth Factor Receptor Inhibitor That Spans the Orthosteric and Allosteric Sites.
J.Med.Chem., 65, 2022
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4B32
 | | Humanised monomeric RadA in complex with napht-1-ol | | 分子名称: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION, naphthalen-2-ol | | 著者 | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | | 登録日 | 2012-07-20 | | 公開日 | 2013-02-06 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Using a Fragment-Based Approach to Target Protein-Protein Interactions.
Chembiochem, 14, 2013
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4BC9
 | | MAMMALIAN ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE: WILD-TYPE, ADDUCT WITH CYANOETHYL | | 分子名称: | ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Nenci, S, Piano, V, Rosati, S, Aliverti, A, Pandini, V, Fraaije, M.W, Heck, A.J.R, Edmondson, D.E, Mattevi, A. | | 登録日 | 2012-10-01 | | 公開日 | 2012-11-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Precursor of Ether Phospholipids is Synthesized by a Flavoenzyme Through Covalent Catalysis.
Proc.Natl.Acad.Sci.USA, 109, 2012
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5USZ
 | | JAK2 JH2 in complex with JNJ-7706621 | | 分子名称: | 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Puleo, D.E, Schlessinger, J. | | 登録日 | 2017-02-14 | | 公開日 | 2017-06-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.103 Å) | | 主引用文献 | Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders.
ACS Med Chem Lett, 8, 2017
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5UT4
 | | JAK2 JH2 in complex with NVP-BSK805 | | 分子名称: | 8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-2-(1-piperidin-4-yl-1H-pyrazol-4-yl)quinoxaline, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Puleo, D.E, Schlessinger, J. | | 登録日 | 2017-02-14 | | 公開日 | 2017-06-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | JAK2 JH2 Fluorescence Polarization Assay and Crystal Structures for Complexes with Three Small Molecules.
ACS Med Chem Lett, 8, 2017
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5UT3
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5UI4
 | | Structure of NME1 covalently conjugated to imidazole fluorosulfate | | 分子名称: | 4-[4-(3-methoxyphenyl)-1-(prop-2-yn-1-yl)-1H-imidazol-5-yl]phenyl sulfurofluoridate, Nucleoside diphosphate kinase A | | 著者 | Mortenson, D.E, Brighty, G.J, Wilson, I.A, Kelly, J.W. | | 登録日 | 2017-01-12 | | 公開日 | 2018-01-17 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | "Inverse Drug Discovery" Strategy To Identify Proteins That Are Targeted by Latent Electrophiles As Exemplified by Aryl Fluorosulfates.
J. Am. Chem. Soc., 140, 2018
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5UT2
 | | JAK2 JH2 in complex with PRT062607 | | 分子名称: | 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide, ACETATE ION, GLYCEROL, ... | | 著者 | Puleo, D.E, Schlessinger, J. | | 登録日 | 2017-02-14 | | 公開日 | 2017-06-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders.
ACS Med Chem Lett, 8, 2017
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5UT1
 | | JAK2 JH2 in complex with BI-D1870 | | 分子名称: | (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, GLYCEROL, Tyrosine-protein kinase JAK2 | | 著者 | Puleo, D.E, Schlessinger, J. | | 登録日 | 2017-02-14 | | 公開日 | 2017-06-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders.
ACS Med Chem Lett, 8, 2017
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5UT6
 | | JAK2 JH2 in complex with a diaminopyrimidine | | 分子名称: | 4-({4-amino-6-[3-(hydroxymethyl)-1H-pyrazol-1-yl]pyrimidin-2-yl}amino)benzonitrile, ACETATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Puleo, D.E, Schlessinger, J. | | 登録日 | 2017-02-14 | | 公開日 | 2017-06-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.645 Å) | | 主引用文献 | JAK2 JH2 Fluorescence Polarization Assay and Crystal Structures for Complexes with Three Small Molecules.
ACS Med Chem Lett, 8, 2017
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5USY
 | | JAK2 JH1 in complex with JNJ-7706621 | | 分子名称: | 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, GLYCEROL, SULFATE ION, ... | | 著者 | Puleo, D.E, Schlessinger, J. | | 登録日 | 2017-02-14 | | 公開日 | 2017-06-07 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders.
ACS Med Chem Lett, 8, 2017
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7MK7
 | | Augmentor domain of augmentor-beta | | 分子名称: | ALK and LTK ligand 1,Maltodextrin-binding protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | 著者 | Krimmer, S.G, Reshetnyak, A.V, Puleo, D.E, Schlessinger, J. | | 登録日 | 2021-04-21 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.42815185 Å) | | 主引用文献 | Structural basis for ligand reception by anaplastic lymphoma kinase.
Nature, 600, 2021
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4B3C
 | | Humanised monomeric RadA in complex with 5-hydroxy indole | | 分子名称: | 1H-indol-5-ol, DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION | | 著者 | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | | 登録日 | 2012-07-23 | | 公開日 | 2013-02-06 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Using a Fragment-Based Approach to Target Protein-Protein Interactions.
Chembiochem, 14, 2013
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4BC7
 | | MAMMALIAN ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE: Arg419His mutant | | 分子名称: | 1-DODECANOL, ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, ... | | 著者 | Nenci, S, Piano, V, Rosati, S, Aliverti, A, Pandini, V, Fraaije, M.W, Heck, A.J.R, Edmondson, D.E, Mattevi, A. | | 登録日 | 2012-10-01 | | 公開日 | 2012-11-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Precursor of Ether Phospholipids is Synthesized by a Flavoenzyme Through Covalent Catalysis.
Proc.Natl.Acad.Sci.USA, 109, 2012
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5U79
 | | Crystal structure of a complex formed between MerB and Dimethyltin | | 分子名称: | ACETATE ION, Alkylmercury lyase, BROMIDE ION, ... | | 著者 | Wahba, H.M, Stevenson, M, Mansour, A, Sygusch, J, Wilcox, D.E, Omichinski, J.G. | | 登録日 | 2016-12-12 | | 公開日 | 2017-01-11 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.604 Å) | | 主引用文献 | Structural and Biochemical Characterization of Organotin and Organolead Compounds Binding to the Organomercurial Lyase MerB Provide New Insights into Its Mechanism of Carbon-Metal Bond Cleavage.
J. Am. Chem. Soc., 139, 2017
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5U83
 | | Crystal structure of a MerB-trimethytin complex. | | 分子名称: | ACETATE ION, Alkylmercury lyase, BROMIDE ION, ... | | 著者 | Wahba, H.M, Stevenson, M, Mansour, A, Sygusch, J, Wilcox, D.E, Omichinski, J.G. | | 登録日 | 2016-12-13 | | 公開日 | 2017-01-11 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.609 Å) | | 主引用文献 | Structural and Biochemical Characterization of Organotin and Organolead Compounds Binding to the Organomercurial Lyase MerB Provide New Insights into Its Mechanism of Carbon-Metal Bond Cleavage.
J. Am. Chem. Soc., 139, 2017
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5TVN
 | | Crystal structure of the LSD-bound 5-HT2B receptor | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, CHOLESTEROL, ... | | 著者 | Wacker, D, Wang, S, McCorvy, J.D, Betz, R.M, Venkatakrishnan, A.J, Levit, A, Lansu, K, Schools, Z.L, Che, T, Nichols, D.E, Shoichet, B.K, Dror, R.O, Roth, B.L. | | 登録日 | 2016-11-09 | | 公開日 | 2017-02-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal Structure of an LSD-Bound Human Serotonin Receptor.
Cell, 168, 2017
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