4X48
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![BU of 4x48 by Molmil](/molmil-images/mine/4x48) | Crystal structure of GluR2 ligand-binding core | 分子名称: | GLUTAMIC ACID, Glutamate receptor 2, N-{(3S,4S)-4-[4-(5-cyanothiophen-2-yl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide, ... | 著者 | Pandit, J. | 登録日 | 2014-12-02 | 公開日 | 2015-05-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | The Discovery and Characterization of the alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptor Potentiator N-{(3S,4S)-4-[4-(5-Cyano-2-thienyl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide (PF-04958242). J.Med.Chem., 58, 2015
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4JIB
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![BU of 4jib by Molmil](/molmil-images/mine/4jib) | Crystal structure of of PDE2-inhibitor complex | 分子名称: | 1-(2-hydroxyethyl)-3-(2-methylbutan-2-yl)-5-[4-(2-methyl-1H-imidazol-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8(1H)-one, MAGNESIUM ION, ZINC ION, ... | 著者 | Pandit, J. | 登録日 | 2013-03-05 | 公開日 | 2013-05-01 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Discovery of potent, selective, bioavailable phosphodiesterase 2 (PDE2) inhibitors active in an osteoarthritis pain model, Part I: Transformation of selective pyrazolodiazepinone phosphodiesterase 4 (PDE4) inhibitors into selective PDE2 inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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6FAJ
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![BU of 6faj by Molmil](/molmil-images/mine/6faj) | The structure of Human Methionine Adenosyltransferase II in apo state | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, S-adenosylmethionine synthase isoform type-2, ... | 著者 | Bradley-Clarke, J, Panmanee, J, Antonyuk, S.V, Hasnain, S.S. | 登録日 | 2017-12-15 | 公開日 | 2019-02-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds Febs J., 2020
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3Q3B
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4LZ5
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![BU of 4lz5 by Molmil](/molmil-images/mine/4lz5) | |
3QPN
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![BU of 3qpn by Molmil](/molmil-images/mine/3qpn) | Structure of PDE10-inhibitor complex | 分子名称: | 6-methoxy-7-[2-(quinolin-2-yl)ethoxy]quinazoline, MAGNESIUM ION, SULFATE ION, ... | 著者 | Pandit, J, Marr, E.S. | 登録日 | 2011-02-14 | 公開日 | 2011-06-15 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Use of Structure-Based Design to Discover a Potent, Selective, In Vivo Active Phosphodiesterase 10A Inhibitor Lead Series for the Treatment of Schizophrenia. J.Med.Chem., 54, 2011
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4LZ8
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3QPP
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![BU of 3qpp by Molmil](/molmil-images/mine/3qpp) | Structure of PDE10-inhibitor complex | 分子名称: | 7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(quinolin-2-yl)ethoxy]quinazoline, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | 著者 | Pandit, J, Marr, E.S. | 登録日 | 2011-02-14 | 公開日 | 2011-06-15 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Use of Structure-Based Design to Discover a Potent, Selective, In Vivo Active Phosphodiesterase 10A Inhibitor Lead Series for the Treatment of Schizophrenia. J.Med.Chem., 54, 2011
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3QPO
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![BU of 3qpo by Molmil](/molmil-images/mine/3qpo) | Structure of PDE10-inhibitor complex | 分子名称: | 7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(pyridin-2-yl)ethoxy]quinazoline, MAGNESIUM ION, SULFATE ION, ... | 著者 | Pandit, J, Marr, E.S. | 登録日 | 2011-02-14 | 公開日 | 2011-06-15 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Use of Structure-Based Design to Discover a Potent, Selective, In Vivo Active Phosphodiesterase 10A Inhibitor Lead Series for the Treatment of Schizophrenia. J.Med.Chem., 54, 2011
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4LZ7
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7KFV
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![BU of 7kfv by Molmil](/molmil-images/mine/7kfv) | Structural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-B12 Fab) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of antibody C1A-B12 Fab, Spike glycoprotein, ... | 著者 | Pan, J, Abraham, J, Clark, L, Clark, S. | 登録日 | 2020-10-15 | 公開日 | 2020-12-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.102 Å) | 主引用文献 | Molecular basis for a germline-biased neutralizing antibody response to SARS-CoV-2. Biorxiv, 2020
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7KFY
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![BU of 7kfy by Molmil](/molmil-images/mine/7kfy) | Structural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-F10 Fab) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, heavy chain of human antibody C1A-F10 Fab, ... | 著者 | Pan, J, Abraham, J, Clark, L, Clark, S. | 登録日 | 2020-10-15 | 公開日 | 2020-12-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.157 Å) | 主引用文献 | Molecular basis for a germline-biased neutralizing antibody response to SARS-CoV-2. Biorxiv, 2020
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7KFW
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![BU of 7kfw by Molmil](/molmil-images/mine/7kfw) | Structural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-B3 Fab) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, heavy chain of antibody C1A-B3 Fab, ... | 著者 | Pan, J, Abraham, J, Clark, L, Clark, S. | 登録日 | 2020-10-15 | 公開日 | 2020-12-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.792 Å) | 主引用文献 | Molecular basis for a germline-biased neutralizing antibody response to SARS-CoV-2. Biorxiv, 2020
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7KFX
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![BU of 7kfx by Molmil](/molmil-images/mine/7kfx) | Structural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-C2 Fab) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, heavy chain of human antibody C1A-C2 Fab, ... | 著者 | Pan, J, Abraham, J, Clark, L, Clark, S. | 登録日 | 2020-10-15 | 公開日 | 2020-12-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.226 Å) | 主引用文献 | Molecular basis for a germline-biased neutralizing antibody response to SARS-CoV-2. Biorxiv, 2020
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3MVH
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![BU of 3mvh by Molmil](/molmil-images/mine/3mvh) | Crystal structure of Akt-1-inhibitor complexes | 分子名称: | GSK3-beta peptide, MANGANESE (II) ION, N-{[(3S)-3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl}-2,4-difluorobenzamide, ... | 著者 | Pandit, J. | 登録日 | 2010-05-04 | 公開日 | 2010-06-02 | 最終更新日 | 2021-10-06 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Design of selective, ATP-competitive inhibitors of Akt. J.Med.Chem., 53, 2010
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3MV5
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![BU of 3mv5 by Molmil](/molmil-images/mine/3mv5) | Crystal structure of Akt-1-inhibitor complexes | 分子名称: | (3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine, GSK3-beta peptide, MANGANESE (II) ION, ... | 著者 | Pandit, J. | 登録日 | 2010-05-03 | 公開日 | 2010-06-02 | 最終更新日 | 2021-10-06 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Design of selective, ATP-competitive inhibitors of Akt. J.Med.Chem., 53, 2010
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3MVJ
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![BU of 3mvj by Molmil](/molmil-images/mine/3mvj) | Human cyclic AMP-dependent protein kinase PKA inhibitor complex | 分子名称: | (3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | 著者 | Pandit, J, Vajdos, F. | 登録日 | 2010-05-04 | 公開日 | 2010-06-02 | 最終更新日 | 2017-11-08 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | Design of selective, ATP-competitive inhibitors of Akt. J.Med.Chem., 53, 2010
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2O8H
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![BU of 2o8h by Molmil](/molmil-images/mine/2o8h) | Crystal structure of the catalytic domain of rat phosphodiesterase 10A | 分子名称: | 6,7-DIMETHOXY-4-{8-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]-3,4-DIHYDROISOQUINOLIN-2(1H)-YL}QUINAZOLINE, MAGNESIUM ION, Phosphodiesterase-10A, ... | 著者 | Pandit, J, Marr, E.S. | 登録日 | 2006-12-12 | 公開日 | 2007-01-09 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of a series of 6,7-dimethoxy-4-pyrrolidylquinazoline PDE10A inhibitors J.Med.Chem., 50, 2007
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5WBP
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5WBQ
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6AX1
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![BU of 6ax1 by Molmil](/molmil-images/mine/6ax1) | Structure of human monoacylglycerol lipase bound to a covalent inhibitor | 分子名称: | 1,1,1,3,3,3-hexafluoropropan-2-yl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate, GLYCEROL, Monoglyceride lipase | 著者 | Pandit, J. | 登録日 | 2017-09-06 | 公開日 | 2017-12-27 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Azetidine and Piperidine Carbamates as Efficient, Covalent Inhibitors of Monoacylglycerol Lipase. J. Med. Chem., 60, 2017
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5WBM
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5WBR
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![BU of 5wbr by Molmil](/molmil-images/mine/5wbr) | Structure of human Ketohexokinase complexed with hits from fragment screening | 分子名称: | 6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, GLYCEROL, ... | 著者 | Pandit, J. | 登録日 | 2017-06-29 | 公開日 | 2017-09-13 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK). J. Med. Chem., 60, 2017
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5WBZ
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![BU of 5wbz by Molmil](/molmil-images/mine/5wbz) | Structure of human Ketohexokinase complexed with hits from fragment screening | 分子名称: | 6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, Ketohexokinase, ... | 著者 | Pandit, J. | 登録日 | 2017-06-29 | 公開日 | 2017-09-13 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK). J. Med. Chem., 60, 2017
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5WBO
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