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8Y2C
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BU of 8y2c by Molmil
Cryo-EM structure of human dopamine transporter in apo state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium-dependent dopamine transporter
著者Zhao, Y, Li, Y.
登録日2024-01-25
公開日2024-08-14
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Dopamine reuptake and inhibitory mechanisms in human dopamine transporter.
Nature, 632, 2024
8Y2E
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BU of 8y2e by Molmil
Cryo-EM structure of human dopamine transporter in complex with benztropine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium-dependent dopamine transporter, benztropine
著者Zhao, Y, Li, Y.
登録日2024-01-25
公開日2024-08-14
最終更新日2024-08-28
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Dopamine reuptake and inhibitory mechanisms in human dopamine transporter.
Nature, 632, 2024
8Y2F
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BU of 8y2f by Molmil
Cryo-EM structure of human dopamine transporter in complex with GBR12909
分子名称: 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium-dependent dopamine transporter
著者Zhao, Y, Li, Y.
登録日2024-01-25
公開日2024-08-14
最終更新日2024-08-28
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Dopamine reuptake and inhibitory mechanisms in human dopamine transporter.
Nature, 632, 2024
8Y2D
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BU of 8y2d by Molmil
Cryo-EM structure of human dopamine transporter in complex with dopamine
分子名称: CHLORIDE ION, L-DOPAMINE, SODIUM ION, ...
著者Zhao, Y, Li, Y.
登録日2024-01-25
公開日2024-08-14
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Dopamine reuptake and inhibitory mechanisms in human dopamine transporter.
Nature, 632, 2024
5CNK
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BU of 5cnk by Molmil
mglur3 with glutamate
分子名称: GLUTAMIC ACID, IODIDE ION, Metabotropic glutamate receptor 3
著者Monn, J.A, Clawson, D.K.
登録日2015-07-17
公開日2015-09-09
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist.
J.Med.Chem., 58, 2015
5CNJ
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BU of 5cnj by Molmil
mGlur2 with glutamate analog
分子名称: (1R,2S,4R,5R,6R)-2-amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 2
著者Monn, J.A, Clawson, D.K.
登録日2015-07-17
公開日2015-09-09
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist.
J.Med.Chem., 58, 2015
5CNI
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BU of 5cni by Molmil
mGlu2 with Glutamate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLUTAMIC ACID, ...
著者Clawson, D.K, Atwell, S, Monn, J.A.
登録日2015-07-17
公開日2015-09-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist.
J.Med.Chem., 58, 2015
5CNM
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BU of 5cnm by Molmil
mGluR3 complexed with glutamate analog
分子名称: (1R,2S,4R,5R,6R)-2-amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, CHLORIDE ION, MAGNESIUM ION, ...
著者Monn, J.A, Clawson, D.K, McKinzie, D.
登録日2015-07-17
公開日2015-09-09
最終更新日2015-10-07
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist.
J.Med.Chem., 58, 2015
7K3H
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BU of 7k3h by Molmil
Crystal structure of deep network hallucinated protein 0217
分子名称: Network hallucinated protein 0217
著者Pellock, S.J, Anishchenko, I, Chidyausiku, T.M, Bera, A.K, DiMaio, F, Baker, D.
登録日2020-09-11
公開日2021-12-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献De novo protein design by deep network hallucination.
Nature, 600, 2021
7JQ8
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BU of 7jq8 by Molmil
Solution NMR structure of human Brd3 ET domain
分子名称: Bromodomain-containing protein 3, Integrase peptide
著者Aiyer, S, Swapna, G.V.T, Roth, J.M, Montelione, G.T.
登録日2020-08-10
公開日2021-06-23
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A common binding motif in the ET domain of BRD3 forms polymorphic structural interfaces with host and viral proteins.
Structure, 29, 2021
7JMY
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BU of 7jmy by Molmil
Solution NMR structure of human Brd3 ET domain
分子名称: Bromodomain-containing protein 3
著者Aiyer, S, Swapna, G.V.T, Roth, J.M, Montelione, G.T.
登録日2020-08-03
公開日2021-03-03
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A common binding motif in the ET domain of BRD3 forms polymorphic structural interfaces with host and viral proteins.
Structure, 29, 2021
7JYN
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BU of 7jyn by Molmil
Solution NMR structure of human Brd3 ET complexed with NSD3(148-184) peptide
分子名称: Bromodomain-containing protein 3, Histone-lysine N-methyltransferase NSD3
著者Aiyer, S, Swapna, G.V.T, Roth, M.J, Montelione, G.T.
登録日2020-08-31
公開日2021-06-23
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A common binding motif in the ET domain of BRD3 forms polymorphic structural interfaces with host and viral proteins.
Structure, 29, 2021
4XAQ
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BU of 4xaq by Molmil
mGluR2 ECD and mGluR3 ECD with ligands
分子名称: (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, CHLORIDE ION, Metabotropic glutamate receptor 2, ...
著者Clawson, D.K.
登録日2014-12-15
公開日2015-02-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures.
J.Med.Chem., 58, 2015
4XAR
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BU of 4xar by Molmil
mGluR2 ECD and mGluR3 ECD complex with ligands
分子名称: (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, IODIDE ION, Metabotropic glutamate receptor 3
著者Clawson, D.K.
登録日2014-12-15
公開日2015-02-11
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures.
J.Med.Chem., 58, 2015
4XAS
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BU of 4xas by Molmil
mGluR2 ECD ligand complex
分子名称: (1R,4S,5S,6S)-4-aminospiro[bicyclo[3.1.0]hexane-2,1'-cyclopropane]-4,6-dicarboxylic acid, Metabotropic glutamate receptor 2
著者Clawson, D.K.
登録日2014-12-15
公開日2015-02-04
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures.
J.Med.Chem., 58, 2015
7M0Q
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BU of 7m0q by Molmil
Crystal structure of deep network hallucinated protein 0738_mod
分子名称: Network hallucinated protein 0738_mod
著者Pellock, S.J, Bera, A.K, Anishchenko, I, Baker, D.
登録日2021-03-11
公開日2021-12-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献De novo protein design by deep network hallucination.
Nature, 600, 2021
8UG3
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BU of 8ug3 by Molmil
Crystal structure of KHK-C and compound 23
分子名称: 2-[(4P)-4-{2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl}-1H-pyrazol-1-yl]-1-(piperazin-1-yl)ethan-1-one, GLYCEROL, Ketohexokinase, ...
著者Durbin, J.D, Guo, S.Y.
登録日2023-10-05
公開日2023-12-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Identification of LY3522348: A Highly Selective and Orally Efficacious Ketohexokinase Inhibitor.
J.Med.Chem., 66, 2023
8UG1
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BU of 8ug1 by Molmil
Crystal structure of KHK-C and compound 13
分子名称: GLYCEROL, Ketohexokinase, SULFATE ION, ...
著者Durbin, J.D, Guo, S.Y.
登録日2023-10-05
公開日2023-12-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Identification of LY3522348: A Highly Selective and Orally Efficacious Ketohexokinase Inhibitor.
J.Med.Chem., 66, 2023
2QN1
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BU of 2qn1 by Molmil
Glycogen Phosphorylase b in complex with asiatic acid
分子名称: Glycogen phosphorylase, muscle form, asiatic acid
著者Zographos, S.E, Leonidas, D.D, Alexacou, K.-M, Hayes, J, Oikonomakos, N.G.
登録日2007-07-17
公開日2008-06-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies
J.Med.Chem., 51, 2008
2QN2
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BU of 2qn2 by Molmil
Glycogen Phosphorylase b in complex with Maslinic Acid
分子名称: Glycogen phosphorylase, muscle form, maslinic acid
著者Zographos, S.E, Leonidas, D.D, Alexacou, K.-M, Hayes, J, Oikonomakos, N.G.
登録日2007-07-17
公開日2008-06-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.698 Å)
主引用文献Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies
J.Med.Chem., 51, 2008
6B7H
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BU of 6b7h by Molmil
Structure of mGluR3 with an agonist
分子名称: (1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Monn, J.A, Clawson, D.K.
登録日2017-10-04
公開日2018-04-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Synthesis and Pharmacological Characterization of C4beta-Amide-Substituted 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1 S,2 S,4 S,5 R,6 S)-2-Amino-4-[(3-methoxybenzoyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2794193), a Highly Potent and Selective mGlu3Receptor Agonist.
J. Med. Chem., 61, 2018
5GMS
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BU of 5gms by Molmil
Crystal structure of the mutant S202W/I203F of the esterase E40
分子名称: Esterase
著者Zhang, Y.-Z, Li, P.-Y.
登録日2016-07-15
公開日2017-07-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and Mechanistic Insights into the Improvement of the Halotolerance of a Marine Microbial Esterase by Increasing Intra- and Interdomain Hydrophobic Interactions.
Appl. Environ. Microbiol., 83, 2017
5GMR
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BU of 5gmr by Molmil
Crystal structure of the mutant M3+S202W/I203F of the esterase E40
分子名称: Esterase
著者Zhang, Y.-Z, Li, P.-Y.
登録日2016-07-15
公開日2017-07-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Mechanistic Insights into the Improvement of the Halotolerance of a Marine Microbial Esterase by Increasing Intra- and Interdomain Hydrophobic Interactions.
Appl. Environ. Microbiol., 83, 2017
7DJJ
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BU of 7djj by Molmil
Structure of four truncated and mutated forms of quenching protein lumenal domains
分子名称: Protein SUPPRESSOR OF QUENCHING 1, chloroplastic, SODIUM ION, ...
著者Yu, G.M, Pan, X.W, Li, M.
登録日2020-11-20
公開日2022-06-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.69806433 Å)
主引用文献Structure of Arabidopsis SOQ1 lumenal region unveils C-terminal domain essential for negative regulation of photoprotective qH.
Nat.Plants, 8, 2022
7DJM
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BU of 7djm by Molmil
Structure of four truncated and mutated forms of quenching protein
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, Protein SUPPRESSOR OF QUENCHING 1, ...
著者Yu, G.M, Pan, X.W, Li, M.
登録日2020-11-20
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.70000112 Å)
主引用文献Structure of Arabidopsis SOQ1 lumenal region unveils C-terminal domain essential for negative regulation of photoprotective qH.
Nat.Plants, 8, 2022

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