1RP7
| E. COLI PYRUVATE DEHYDROGENASE INHIBITOR COMPLEX | 分子名称: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, MAGNESIUM ION, Pyruvate dehydrogenase E1 component | 著者 | Arjunan, P, Chandrasekhar, K, Furey, W. | 登録日 | 2003-12-03 | 公開日 | 2004-03-16 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Structural Determinants of Enzyme Binding Affinity: The E1 Component of Pyruvate Dehydrogenase from Escherichia coli in Complex with the Inhibitor Thiamin Thiazolone Diphosphate. Biochemistry, 43, 2004
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1L8A
| E. COLI PYRUVATE DEHYDROGENASE | 分子名称: | MAGNESIUM ION, Pyruvate dehydrogenase E1 component, THIAMINE DIPHOSPHATE | 著者 | Furey, W, Arjunan, P. | 登録日 | 2002-03-19 | 公開日 | 2002-07-24 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure of the pyruvate dehydrogenase multienzyme complex E1 component from Escherichia coli at 1.85 A resolution. Biochemistry, 41, 2002
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4QOY
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2IEA
| E. coli pyruvate dehydrogenase | 分子名称: | MAGNESIUM ION, Pyruvate dehydrogenase E1 component, THIAMINE DIPHOSPHATE | 著者 | Furey, W, Arjunan, P. | 登録日 | 2006-09-18 | 公開日 | 2006-10-03 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure of the pyruvate dehydrogenase multienzyme complex E1 component from Escherichia coli at 1.85 A resolution. Biochemistry, 41, 2002
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1PVD
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6CFO
| HUMAN PYRUVATE DEHYDROGENASE E1 COMPONENT COMPLEX WITH COVALENT TDP ADDUCT ACETYL PHOSPHINATE | 分子名称: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-hydroxy-1-[(R)-hydroxy(oxo)-lambda~5~-phosphanyl]ethyl}-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, MAGNESIUM ION, Pyruvate dehydrogenase E1 component subunit alpha, ... | 著者 | ARJUNAN, P, WHITLEY, M.J, FUREY, W. | 登録日 | 2018-02-15 | 公開日 | 2018-07-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Pyruvate dehydrogenase complex deficiency is linked to regulatory loop disorder in the alpha V138M variant of human pyruvate dehydrogenase. J. Biol. Chem., 293, 2018
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2G25
| E. Coli Pyruvate Dehydrogenase Phosphonolactylthiamin Diphosphate Complex | 分子名称: | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1S)-1-HYDROXY-1-[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | Furey, W, Arjunan, P, Chandrasekhar, K. | 登録日 | 2006-02-15 | 公開日 | 2006-04-25 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A Thiamin-bound, Pre-decarboxylation Reaction Intermediate Analogue in the Pyruvate Dehydrogenase E1 Subunit Induces Large Scale Disorder-to-Order Transformations in the Enzyme and Reveals Novel Structural Features in the Covalently Bound Adduct. J.Biol.Chem., 281, 2006
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2G28
| E. Coli Pyruvate Dehydrogenase H407A variant Phosphonolactylthiamin Diphosphate Complex | 分子名称: | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1S)-1-HYDROXY-1-[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, MAGNESIUM ION, Pyruvate dehydrogenase E1 component | 著者 | Furey, W, Arjunan, P, Chandrasekhar, K. | 登録日 | 2006-02-15 | 公開日 | 2006-04-25 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A Thiamin-bound, Pre-decarboxylation Reaction Intermediate Analogue in the Pyruvate Dehydrogenase E1 Subunit Induces Large Scale Disorder-to-Order Transformations in the Enzyme and Reveals Novel Structural Features in the Covalently Bound Adduct. J.Biol.Chem., 281, 2006
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4Z90
| ELIC bound with the anesthetic isoflurane in the resting state | 分子名称: | (2R)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Gamma-aminobutyric-acid receptor subunit beta-1 | 著者 | Chen, Q, Kinde, M, Arjunan, P, Cohen, A, Xu, Y, Tang, P. | 登録日 | 2015-04-09 | 公開日 | 2015-09-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Direct Pore Binding as a Mechanism for Isoflurane Inhibition of the Pentameric Ligand-gated Ion Channel ELIC. Sci Rep, 5, 2015
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4Z91
| ELIC cocrystallized with isofluorane in a desensitized state | 分子名称: | (2R)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane, 1.7.6 3-bromanylpropan-1-amine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | 著者 | Chen, Q, Kinde, M.N, Arjunan, P, Cohen, A, Xu, Y, Tang, P. | 登録日 | 2015-04-09 | 公開日 | 2015-09-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.3915 Å) | 主引用文献 | Direct Pore Binding as a Mechanism for Isoflurane Inhibition of the Pentameric Ligand-gated Ion Channel ELIC. Sci Rep, 5, 2015
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4JDR
| Dihydrolipoamide dehydrogenase of pyruvate dehydrogenase from escherichia coli | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Chandrasekhar, K, Arjunan, P, Furey, W. | 登録日 | 2013-02-25 | 公開日 | 2013-04-24 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Insight to the Interaction of the Dihydrolipoamide Acetyltransferase (E2) Core with the Peripheral Components in the Escherichia coli Pyruvate Dehydrogenase Complex via Multifaceted Structural Approaches. J.Biol.Chem., 288, 2013
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4N72
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6D1S
| Crystal structure of an apo chimeric human alpha1GABAA receptor | 分子名称: | chimeric alpha1GABAA receptor | 著者 | Chen, Q, Arjunan, P, Cohen, A.E, Xu, Y, Tang, P. | 登録日 | 2018-04-12 | 公開日 | 2018-08-22 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structural basis of neurosteroid anesthetic action on GABAAreceptors. Nat Commun, 9, 2018
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6CDU
| Crystal structure of a chimeric human alpha1GABAA receptor in complex with alphaxalone | 分子名称: | (3a,5a)-3-Hydroxypregnane-11,20-dione, chimeric alpha1GABAA receptor | 著者 | Chen, Q, Arjunan, P, Cohen, A.E, Xu, Y, Tang, P. | 登録日 | 2018-02-09 | 公開日 | 2018-08-22 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.45 Å) | 主引用文献 | Structural basis of neurosteroid anesthetic action on GABAAreceptors. Nat Commun, 9, 2018
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2P5J
| sPLA2 inhibitor pip 17 | 分子名称: | pip17 | 著者 | Thwin, M.M, Satyanarayanajois, D.S, Nagarajarao, L.M, Sato, K, Gopalakrishnakone, P.P, Arjunan, P. | 登録日 | 2007-03-15 | 公開日 | 2007-11-13 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Novel Peptide Inhibitors of Human Secretory Phospholipase A2 with Antiinflammatory Activity: Solution Structure and Molecular Modeling. J.Med.Chem., 50, 2007
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2P5H
| sPLA2 inhibitor 9 | 分子名称: | pip9 | 著者 | Thwin, M.M, Satyanarayanajois, D.S, Nagarajarao, L.M, Sato, K, Gopalakrishnakone, P.P, Arjunan, P. | 登録日 | 2007-03-15 | 公開日 | 2007-11-13 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Novel Peptide Inhibitors of Human Secretory Phospholipase A2 with Antiinflammatory Activity: Solution Structure and Molecular Modeling. J.Med.Chem., 50, 2007
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6CER
| Human pyruvate dehydrogenase complex E1 component V138M mutation | 分子名称: | MAGNESIUM ION, Pyruvate dehydrogenase E1 component subunit alpha, somatic form, ... | 著者 | Whitley, M.J, Arjunan, P, Furey, W. | 登録日 | 2018-02-12 | 公開日 | 2018-07-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | 主引用文献 | Pyruvate dehydrogenase complex deficiency is linked to regulatory loop disorder in the alpha V138M variant of human pyruvate dehydrogenase. J. Biol. Chem., 293, 2018
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2G67
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2QTA
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2QTC
| E. coli Pyruvate dehydrogenase E1 component E401K mutant with phosphonolactylthiamin diphosphate | 分子名称: | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1S)-1-HYDROXY-1-[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, MAGNESIUM ION, Pyruvate dehydrogenase E1 component | 著者 | Furey, W, Arjunan, P, Chandrasekhar, K. | 登録日 | 2007-08-01 | 公開日 | 2007-08-14 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | A Dynamic Loop at the Active Center of the Escherichia coli Pyruvate Dehydrogenase Complex E1 Component Modulates Substrate Utilization and Chemical Communication with the E2 Component J.Biol.Chem., 282, 2007
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8U9R
| STRUCTURAL BASIS OF TRANSCRIPTION: RNA POLYMERASE II SUBSTRATE BINDING AND METAL COORDINATION USING A FREE-ELECTRON LASER | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(P*CP*AP*CP*GP*TP*CP*CP*CP*TP*CP*TP*CP*GP*A)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | 著者 | Arjunan, P, Calero, G, Kaplan, C.D. | 登録日 | 2023-09-20 | 公開日 | 2024-09-18 | 実験手法 | X-RAY DIFFRACTION (3.34 Å) | 主引用文献 | Structural basis of transcription: RNA polymerase II substrate binding and metal coordination using a free-electron laser. Proc.Natl.Acad.Sci.USA, 121, 2024
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8U9X
| STRUCTURAL BASIS OF TRANSCRIPTION: RNA POLYMERASE II SUBSTRATE BINDING AND METAL COORDINATION AT 3.0 A OF T834P MUTANT USING A FREE-ELECTRON LASER | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | 著者 | Arjunan, P, Calero, G, Kaplan, C.D. | 登録日 | 2023-09-20 | 公開日 | 2024-09-18 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Structural basis of transcription: RNA polymerase II substrate binding and metal coordination using a free-electron laser. Proc.Natl.Acad.Sci.USA, 121, 2024
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3LPL
| E. coli pyruvate dehydrogenase complex E1 component E571A mutant | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | Furey, W. | 登録日 | 2010-02-05 | 公開日 | 2010-03-02 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Communication between thiamin cofactors in the Escherichia coli pyruvate dehydrogenase complex E1 component active centers: evidence for a "direct pathway" between the 4'-aminopyrimidine N1' atoms. J.Biol.Chem., 285, 2010
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3LQ2
| E. coli pyruvate dehydrogenase complex E1 E235A mutant with low TDP concentration | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | Furey, W. | 登録日 | 2010-02-08 | 公開日 | 2010-03-02 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Communication between thiamin cofactors in the Escherichia coli pyruvate dehydrogenase complex E1 component active centers: evidence for a "direct pathway" between the 4'-aminopyrimidine N1' atoms. J.Biol.Chem., 285, 2010
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3LQ4
| E. coli pyruvate dehydrogenase complex E1 E235A mutant with high TDP concentration | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | Furey, W. | 登録日 | 2010-02-08 | 公開日 | 2010-03-02 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Communication between thiamin cofactors in the Escherichia coli pyruvate dehydrogenase complex E1 component active centers: evidence for a "direct pathway" between the 4'-aminopyrimidine N1' atoms. J.Biol.Chem., 285, 2010
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