7TUK
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7TUL
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6WQO
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4EHM
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![BU of 4ehm by Molmil](/molmil-images/mine/4ehm) | RabGGTase in complex with covalently bound Psoromic acid | 分子名称: | 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid, CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, ... | 著者 | Guo, Z, Deraeve, C, Bon, R.S, Alexandrov, K, Waldmann, H, Wu, Y.W, Goody, R.S, Blankenfeldt, W. | 登録日 | 2012-04-02 | 公開日 | 2012-05-30 | 最終更新日 | 2017-08-09 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Psoromic Acid is a Selective and Covalent Rab-Prenylation Inhibitor Targeting Autoinhibited RabGGTase J.Am.Chem.Soc., 134, 2012
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5U7L
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![BU of 5u7l by Molmil](/molmil-images/mine/5u7l) | PDE2 catalytic domain complexed with inhibitors | 分子名称: | (3R)-1-{3-[5-(4-ethylphenyl)-1-methyl-1H-pyrazol-4-yl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-N,N-dimethylpyrrolidin-3-amine, MAGNESIUM ION, ZINC ION, ... | 著者 | Pandit, J, Parris, K. | 登録日 | 2016-12-12 | 公開日 | 2017-06-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Application of Structure-Based Design and Parallel Chemistry to Identify a Potent, Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor. J. Med. Chem., 60, 2017
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5U7K
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![BU of 5u7k by Molmil](/molmil-images/mine/5u7k) | PDE2 catalytic domain complexed with inhibitors | 分子名称: | 3-[5-(4-ethylphenyl)-1-methyl-1H-pyrazol-4-yl]-5-propoxy[1,2,4]triazolo[4,3-a]pyrazine, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Pandit, J, Parris, K. | 登録日 | 2016-12-12 | 公開日 | 2017-06-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Application of Structure-Based Design and Parallel Chemistry to Identify a Potent, Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor. J. Med. Chem., 60, 2017
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4OAI
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![BU of 4oai by Molmil](/molmil-images/mine/4oai) | |
4OAF
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3L5L
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![BU of 3l5l by Molmil](/molmil-images/mine/3l5l) | Xenobiotic Reductase A - oxidized | 分子名称: | (R,R)-2,3-BUTANEDIOL, FLAVIN MONONUCLEOTIDE, SULFATE ION, ... | 著者 | Spiegelhauer, O, Dobbek, H. | 登録日 | 2009-12-22 | 公開日 | 2010-03-23 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | 主引用文献 | Cysteine as a modulator residue in the active site of xenobiotic reductase A: a structural, thermodynamic and kinetic study J.Mol.Biol., 398, 2010
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3L68
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![BU of 3l68 by Molmil](/molmil-images/mine/3l68) | Xenobiotic Reductase A - C25S variant with coumarin | 分子名称: | (R,R)-2,3-BUTANEDIOL, COUMARIN, FLAVIN MONONUCLEOTIDE, ... | 著者 | Spiegelhauer, O, Dobbek, H. | 登録日 | 2009-12-23 | 公開日 | 2010-03-23 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Cysteine as a modulator residue in the active site of xenobiotic reductase A: a structural, thermodynamic and kinetic study J.Mol.Biol., 398, 2010
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3L66
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![BU of 3l66 by Molmil](/molmil-images/mine/3l66) | Xenobiotic Reductase A - C25A Variant with Coumarin | 分子名称: | (R,R)-2,3-BUTANEDIOL, COUMARIN, FLAVIN MONONUCLEOTIDE, ... | 著者 | Spiegelhauer, O, Dobbek, H. | 登録日 | 2009-12-23 | 公開日 | 2010-03-23 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Cysteine as a modulator residue in the active site of xenobiotic reductase A: a structural, thermodynamic and kinetic study J.Mol.Biol., 398, 2010
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3L5M
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![BU of 3l5m by Molmil](/molmil-images/mine/3l5m) | Xenobiotic reductase A - coumarin bound | 分子名称: | (R,R)-2,3-BUTANEDIOL, COUMARIN, FLAVIN MONONUCLEOTIDE, ... | 著者 | Spiegelhauer, O, Dobbek, H. | 登録日 | 2009-12-22 | 公開日 | 2010-03-23 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Cysteine as a modulator residue in the active site of xenobiotic reductase A: a structural, thermodynamic and kinetic study J.Mol.Biol., 398, 2010
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3L67
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![BU of 3l67 by Molmil](/molmil-images/mine/3l67) | Xenobiotic reductase A - C25S variant | 分子名称: | (R,R)-2,3-BUTANEDIOL, FLAVIN MONONUCLEOTIDE, SULFATE ION, ... | 著者 | Spiegelhauer, O, Dobbek, H. | 登録日 | 2009-12-23 | 公開日 | 2010-03-23 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Cysteine as a modulator residue in the active site of xenobiotic reductase A: a structural, thermodynamic and kinetic study J.Mol.Biol., 398, 2010
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3L65
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![BU of 3l65 by Molmil](/molmil-images/mine/3l65) | Xenobiotic Reductase A - C25A Mutant | 分子名称: | (R,R)-2,3-BUTANEDIOL, FLAVIN MONONUCLEOTIDE, SULFATE ION, ... | 著者 | Spiegelhauer, O, Dobbek, H. | 登録日 | 2009-12-23 | 公開日 | 2010-03-23 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Cysteine as a modulator residue in the active site of xenobiotic reductase A: a structural, thermodynamic and kinetic study J.Mol.Biol., 398, 2010
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5U7D
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![BU of 5u7d by Molmil](/molmil-images/mine/5u7d) | PDE2 catalytic domain complexed with inhibitors | 分子名称: | 2-(3,4-dimethoxybenzyl)-7-[(2R,3R)-2-hydroxy-6-phenylhexan-3-yl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | 著者 | Pandit, J, Parris, K. | 登録日 | 2016-12-12 | 公開日 | 2017-06-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Application of Structure-Based Design and Parallel Chemistry to Identify a Potent, Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor. J. Med. Chem., 60, 2017
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3G3E
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3N14
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![BU of 3n14 by Molmil](/molmil-images/mine/3n14) | XenA - W358A | 分子名称: | (R,R)-2,3-BUTANEDIOL, FLAVIN MONONUCLEOTIDE, SULFATE ION, ... | 著者 | Dobbek, H, Spiegelhauer, O. | 登録日 | 2010-05-15 | 公開日 | 2010-09-22 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Determinants of substrate binding and protonation in the flavoenzyme xenobiotic reductase A J.Mol.Biol., 403, 2010
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5U7J
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![BU of 5u7j by Molmil](/molmil-images/mine/5u7j) | PDE2 catalytic domain complexed with inhibitors | 分子名称: | 5-[2-(2-methoxyphenyl)ethoxy]-3-(2-methylpropyl)[1,2,4]triazolo[4,3-a]pyrazine, MAGNESIUM ION, ZINC ION, ... | 著者 | Pandit, J, Parris, K. | 登録日 | 2016-12-12 | 公開日 | 2017-06-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Application of Structure-Based Design and Parallel Chemistry to Identify a Potent, Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor. J. Med. Chem., 60, 2017
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4OAH
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3N19
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![BU of 3n19 by Molmil](/molmil-images/mine/3n19) | XenA - reduced | 分子名称: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, SULFATE ION, Xenobiotic reductase A | 著者 | Spiegelhauer, O, Dobbek, H. | 登録日 | 2010-05-15 | 公開日 | 2010-09-22 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Determinants of substrate binding and protonation in the flavoenzyme xenobiotic reductase A J.Mol.Biol., 403, 2010
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8T6F
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![BU of 8t6f by Molmil](/molmil-images/mine/8t6f) | Crystal structure of human MBP-Myeloid cell leukemia 1 (Mcl-1) in complex with BRD810 inhibitor | 分子名称: | (3aM,9S,15R)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-yl)oxy]propyl}-2-methyl-15-[2-(morpholin-4-yl)ethyl]-2,10,11,12,13,15-hexahydropyrazolo[4',3':9,10][1,6]oxazacycloundecino[8,7,6-hi]indole-8-carboxylic acid, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | 著者 | Poncet-Montange, G, Lemke, C.T. | 登録日 | 2023-06-15 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | BRD810 is a novel highly selective MCL1 inhibitor with optimized in vivo clearance and robust efficacy in solid and hematological tumor models to be published
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5U7I
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![BU of 5u7i by Molmil](/molmil-images/mine/5u7i) | PDE2 catalytic domain complexed with inhibitors | 分子名称: | 4-[3-(4-methoxyphenoxy)azetidin-1-yl]-1-methyl-3-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidine, MAGNESIUM ION, ZINC ION, ... | 著者 | Pandit, J. | 登録日 | 2016-12-12 | 公開日 | 2017-06-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Application of Structure-Based Design and Parallel Chemistry to Identify a Potent, Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor. J. Med. Chem., 60, 2017
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4OAG
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8A8R
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![BU of 8a8r by Molmil](/molmil-images/mine/8a8r) | Crystal structure of TEAD4 in complex with YAP peptide | 分子名称: | Isoform 7 of Transcriptional coactivator YAP1, MYRISTIC ACID, Transcriptional enhancer factor TEF-3 | 著者 | Scheufler, C, Kallen, J. | 登録日 | 2022-06-23 | 公開日 | 2022-12-28 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.696 Å) | 主引用文献 | N-terminal beta-strand in YAP is critical for stronger binding to scalloped relative to TEAD transcription factor. Protein Sci., 32, 2023
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8A8Q
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