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1M5E
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BU of 1m5e by Molmil
X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) IN COMPLEX WITH ACPA AT 1.46 A RESOLUTION
分子名称: (S)-2-AMINO-3-(3-CARBOXY-5-METHYLISOXAZOL-4-YL)PROPIONIC ACID, ACETATE ION, Glutamate receptor 2, ...
著者Hogner, A, Kastrup, J.S, Jin, R, Liljefors, T, Mayer, M.L, Egebjerg, J, Larsen, I.K, Gouaux, E.
登録日2002-07-09
公開日2002-09-18
最終更新日2017-08-16
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structural Basis for AMPA Receptor Activation and Ligand Selectivity: Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding Core
J.Mol.Biol., 322, 2002
1MS7
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X-ray structure of the GluR2 ligand-binding core (S1S2J) in complex with (S)-Des-Me-AMPA at 1.97 A resolution, Crystallization in the presence of zinc acetate
分子名称: (S)-2-AMINO-3-(3-HYDROXY-ISOXAZOL-4-YL)PROPIONIC ACID, Glutamate receptor subunit 2, ZINC ION
著者Kasper, C, Lunn, M.-L, Liljefors, T, Gouaux, E, Egebjerg, J, Kastrup, J.S.
登録日2002-09-19
公開日2003-07-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献GluR2 ligand-binding core complexes: importance of the isoxazolol moiety and 5-substituent for the binding mode of AMPA-type agonists
FEBS Lett., 531, 2002
3NX2
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BU of 3nx2 by Molmil
Enterobacter sp. Px6-4 Ferulic Acid Decarboxylase in complex with substrate analogues
分子名称: 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, Ferulic acid decarboxylase
著者Gu, W, Yang, J.K, Lou, Z.Y, Meng, Z.H, Zhang, K.-Q.
登録日2010-07-12
公開日2011-02-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural Basis of Enzymatic Activity for the Ferulic Acid Decarboxylase (FADase) from Enterobacter sp. Px6-4
Plos One, 6, 2011
3NX1
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BU of 3nx1 by Molmil
Crystal structure of Enterobacter sp. Px6-4 Ferulic Acid Decarboxylase
分子名称: Ferulic acid decarboxylase
著者Gu, W, Yang, J.K, Lou, Z.Y, Meng, Z.H, Zhang, K.-Q.
登録日2010-07-12
公開日2011-02-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis of Enzymatic Activity for the Ferulic Acid Decarboxylase (FADase) from Enterobacter sp. Px6-4
Plos One, 6, 2011
5XYZ
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BU of 5xyz by Molmil
The structure of human BTK kinase domain in complex with a covalent inhibitor
分子名称: N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide, Tyrosine-protein kinase BTK
著者Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Xie, Y.T, Li, L, Qi, X.B, Huang, N.
登録日2017-07-11
公開日2018-05-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
5XYX
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The structure of p38 alpha in complex with a triazol inhibitor
分子名称: Mitogen-activated protein kinase 14, N-(2-chloro-6-fluorobenzyl)-5-(furan-2-yl)-2H-1,2,4-triazol-3-amine
著者Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N.
登録日2017-07-11
公開日2018-01-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
6UL5
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BU of 6ul5 by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile (24b), a non-nucleoside RT inhibitor
分子名称: 1,2-ETHANEDIOL, 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile, MAGNESIUM ION, ...
著者Ruiz, F.X, Pilch, A, Arnold, E.
登録日2019-10-06
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Discovery and Characterization of Fluorine-Substituted Diarylpyrimidine Derivatives as Novel HIV-1 NNRTIs with Highly Improved Resistance Profiles and Low Activity for the hERG Ion Channel.
J.Med.Chem., 63, 2020
5XYY
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BU of 5xyy by Molmil
The structure of p38 alpha in complex with a triazol inhibitor
分子名称: 3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4H-1,2,4-triazol-3-yl)phenol, Mitogen-activated protein kinase 14
著者Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N.
登録日2017-07-11
公開日2018-01-17
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
2JXL
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BU of 2jxl by Molmil
Solution structure of cardiac N-domain troponin C mutant F77W-V82A
分子名称: CALCIUM ION, Troponin C, slow skeletal and cardiac muscles
著者Julien, O, Sun, Y, Wang, X, Lindhout, D.A, Thiessen, A, Irving, M, Sykes, B.D.
登録日2007-11-20
公開日2007-12-04
最終更新日2021-10-20
実験手法SOLUTION NMR
主引用文献Tryptophan Mutants of Cardiac Troponin C: 3D Structure, Troponin I Affinity, and in Situ Activity.
Biochemistry, 47, 2008
5H19
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BU of 5h19 by Molmil
EED in complex with PRC2 allosteric inhibitor EED162
分子名称: 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-08
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
2L1R
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BU of 2l1r by Molmil
The structure of the calcium-sensitizer, dfbp-o, in complex with the N-domain of troponin C and the switch region of troponin I
分子名称: CALCIUM ION, Troponin C, Troponin I, ...
著者Robertson, I.M, Sun, Y, Li, M.X, Sykes, B.D.
登録日2010-08-03
公開日2010-08-18
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A structural and functional perspective into the mechanism of Ca(2+)-sensitizers that target the cardiac troponin complex.
J.MOL.CELL.CARDIOL., 49, 2010
6VUM
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BU of 6vum by Molmil
Structure of nevanimibe-bound human tetrameric ACAT1
分子名称: CHOLESTEROL, COENZYME A, OLEIC ACID, ...
著者Li, X, Long, T.
登録日2020-02-16
公開日2020-05-13
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献Structure of nevanimibe-bound tetrameric human ACAT1.
Nature, 581, 2020
2N79
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BU of 2n79 by Molmil
The structural and functional effects of the Familial Hypertrophic Cardiomyopathy-linked cardiac troponin C mutation, L29Q
分子名称: CALCIUM ION, Troponin C, slow skeletal and cardiac muscles
著者Robertson, I.M, Sevrieva, I, Li, M.X, Irving, M, Sun, Y, Sykes, B.
登録日2015-09-06
公開日2015-10-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The structural and functional effects of the familial hypertrophic cardiomyopathy-linked cardiac troponin C mutation, L29Q.
J.MOL.CELL.CARDIOL., 87, 2015
6FWB
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BU of 6fwb by Molmil
Crystal structure of Mat2A at 1.79 Angstron resolution
分子名称: GLYCEROL, S-adenosylmethionine synthase isoform type-2, SODIUM ION, ...
著者Zhou, A, Wei, Z, Bai, J, Wang, H.
登録日2018-03-06
公開日2019-03-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Identification of a natural inhibitor of methionine adenosyltransferase 2A regulating one-carbon metabolism in keratinocytes.
Ebiomedicine, 39, 2019
4HVI
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BU of 4hvi by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((R)-1-methyl-2-oxo-2-piperidin-1-yl-ethyl)-amide
分子名称: 2-cyclopropyl-N-[(2R)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
著者Kuglstatter, A, Shao, A.
登録日2012-11-06
公開日2013-01-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
4HVG
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BU of 4hvg by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-2-hydroxy-1,2-dimethyl-propyl)-amide
分子名称: 2-cyclopropyl-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
著者Kuglstatter, A, Shao, A.
登録日2012-11-06
公開日2013-01-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
4HVH
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BU of 4hvh by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((R)-2-hydroxy-1,2-dimethyl-propyl
分子名称: 2-cyclopropyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
著者Kuglstatter, A, Shao, A.
登録日2012-11-06
公開日2013-01-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
4HVD
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BU of 4hvd by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1,2,2-trimethyl-propyl)-amide
分子名称: 1-phenylurea, 2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
著者Kuglstatter, A, Shao, A.
登録日2012-11-06
公開日2013-01-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
4IJS
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BU of 4ijs by Molmil
Crystal structure of nucleocapsid protein encoded by the prototypic member of orthobunyavirus
分子名称: Nucleoprotein, RNA (5'-R(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3')
著者Li, B.B, Wang, Q, Lou, Z.Y.
登録日2012-12-23
公開日2013-04-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Bunyamwera virus possesses a distinct nucleocapsid protein to facilitate genome encapsidation
Proc.Natl.Acad.Sci.USA, 110, 2013
7BW4
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BU of 7bw4 by Molmil
Structure of the RNA-dependent RNA polymerase from SARS-CoV-2
分子名称: Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase, ...
著者Peng, Q, Peng, R, Shi, Y.
登録日2020-04-13
公開日2020-05-27
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural and Biochemical Characterization of the nsp12-nsp7-nsp8 Core Polymerase Complex from SARS-CoV-2.
Cell Rep, 31, 2020
1M5B
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BU of 1m5b by Molmil
X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) IN COMPLEX WITH 2-Me-Tet-AMPA AT 1.85 A RESOLUTION.
分子名称: (S)-2-AMINO-3-[3-HYDROXY-5-(2-METHYL-2H-TETRAZOL-5-YL)ISOXAZOL-4-YL]PROPIONIC ACID, Glutamate receptor 2, ZINC ION
著者Hogner, A, Kastrup, J.S, Jin, R, Liljefors, T, Mayer, M.L, Egebjerg, J, Larsen, I.K, Gouaux, E.
登録日2002-07-09
公開日2002-09-18
最終更新日2017-08-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Basis for AMPA Receptor Activation and Ligand Selectivity: Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding Core
J.Mol.Biol., 322, 2002
6ADM
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BU of 6adm by Molmil
Anthrax Toxin Receptor 1-bound full particles of Seneca Valley Virus in acidic conditions
分子名称: Anthrax toxin receptor 1, MAGNESIUM ION, VP1, ...
著者Lou, Z.Y, Cao, L.
登録日2018-08-01
公開日2019-02-06
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Seneca Valley virus attachment and uncoating mediated by its receptor anthrax toxin receptor 1
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6ADL
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Anthrax Toxin Receptor 1-bound spent particles of Seneca Valley Virus in acidic conditions
分子名称: Anthrax toxin receptor 1, MAGNESIUM ION, VP1, ...
著者Lou, Z.Y, Cao, L.
登録日2018-08-01
公開日2019-12-25
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Seneca Valley virus attachment and uncoating mediated by its receptor anthrax toxin receptor 1.
Proc.Natl.Acad.Sci.USA, 115, 2018
6ADR
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Anthrax Toxin Receptor 1-bound the Seneca Valley Virus in neutral conditions
分子名称: Anthrax toxin receptor 1, MAGNESIUM ION, VP1, ...
著者Lou, Z.Y, Cao, L.
登録日2018-08-02
公開日2019-02-06
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Seneca Valley virus attachment and uncoating mediated by its receptor anthrax toxin receptor 1
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
1N0T
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X-ray structure of the GluR2 ligand-binding core (S1S2J) in complex with the antagonist (S)-ATPO at 2.1 A resolution.
分子名称: (S)-2-AMINO-3-(5-TERT-BUTYL-3-(PHOSPHONOMETHOXY)-4-ISOXAZOLYL)PROPIONIC ACID, ACETATE ION, Glutamate receptor 2, ...
著者Hogner, A, Greenwood, J.R, Liljefors, T, Lunn, M.-L, Egebjerg, J, Larsen, I.K, Gouaux, E, Kastrup, J.S.
登録日2002-10-15
公開日2003-03-04
最終更新日2017-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Competitive antagonism of AMPA receptors by ligands of different classes: crystal structure of ATPO bound to the GluR2 ligand-binding core, in comparison with DNQX.
J.Med.Chem., 46, 2003

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