4YN6
 
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4WNT
 | | Human Cytochrome P450 2D6 Ajmalicine Complex | | 分子名称: | Ajmalicine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Wang, A, Stout, C.D, Johnson, E.F. | | 登録日 | 2014-10-14 | | 公開日 | 2015-01-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
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4WNW
 | | Human Cytochrome P450 2D6 Thioridazine Complex | | 分子名称: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, Cytochrome P450 2D6, NICKEL (II) ION, ... | | 著者 | Wang, A, Stout, C.D, Johnson, E.F. | | 登録日 | 2014-10-14 | | 公開日 | 2015-01-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.299 Å) | | 主引用文献 | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
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4WNV
 | | Human Cytochrome P450 2D6 Quinine Complex | | 分子名称: | Cytochrome P450 2D6, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Wang, A, Stout, C.D, Johnson, E.F. | | 登録日 | 2014-10-14 | | 公開日 | 2015-01-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
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4WNU
 | | Human Cytochrome P450 2D6 Quinidine Complex | | 分子名称: | Cytochrome P450 2D6, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Wang, A, Stout, C.D, Johnson, E.F. | | 登録日 | 2014-10-14 | | 公開日 | 2015-01-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
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1N3I
 | | Crystal Structure of Mycobacterium tuberculosis PNP with transition state analog DADMe-ImmH | | 分子名称: | 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, Purine Nucleoside Phosphorylase | | 著者 | Lewandowicz, A, Shi, W, Evans, G.B, Tyler, P.C, Furneaux, R.H, Basso, L.A, Santos, D.S, Almo, S.C, Schramm, V.L. | | 登録日 | 2002-10-28 | | 公開日 | 2003-09-30 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Over-The-Barrier Transition State Analogues Provide New Chemistries for Inhibitor Design: The Case of Purine Nucleoside Phosphorylase
BIOCHEMISTRY, 42, 2003
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8UW3
 | | Human LINE-1 retrotransposon ORF2 protein engaged with template RNA in elongation state | | 分子名称: | Complementary DNA, LINE-1 retrotransposable element ORF2 protein, THYMIDINE-5'-TRIPHOSPHATE, ... | | 著者 | Thawani, A, Florez Ariza, A.J, Collins, K, Nogales, E. | | 登録日 | 2023-11-06 | | 公開日 | 2023-12-20 | | 最終更新日 | 2024-02-14 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Template and target-site recognition by human LINE-1 in retrotransposition.
Nature, 626, 2024
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3QM4
 | | Human Cytochrome P450 (CYP) 2D6 - Prinomastat Complex | | 分子名称: | Cytochrome P450 2D6, NICKEL (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Wang, A, Stout, C.D, Johnson, E.F. | | 登録日 | 2011-02-03 | | 公開日 | 2012-02-15 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Crystal Structure of Human Cytochrome P450 2D6 with Prinomastat Bound.
J.Biol.Chem., 287, 2012
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3PM0
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3TDA
 | | Competitive replacement of thioridazine by prinomastat in crystals of cytochrome P450 2D6 | | 分子名称: | Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, Prinomastat, ... | | 著者 | Wang, A, Stout, C.D, Johnson, E.F. | | 登録日 | 2011-08-10 | | 公開日 | 2012-08-15 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
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3TBG
 | | Human cytochrome P450 2D6 with two thioridazines bound in active site | | 分子名称: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, Cytochrome P450 2D6, GLYCEROL, ... | | 著者 | Wang, A, Stout, C.D, Johnson, E.F. | | 登録日 | 2011-08-05 | | 公開日 | 2012-08-08 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
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5XI1
 | | Structural Insight of Flavonoids binding to CAG repeat RNA that causes Huntington's Disease (HD) and Spinocerebellar Ataxia (SCAs) | | 分子名称: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, RNA (5'-R(P*CP*CP*GP*CP*AP*GP*CP*GP*G)-3') | | 著者 | Tawani, A, Mishra, S.K, Khan, E, Kumar, A. | | 登録日 | 2017-04-25 | | 公開日 | 2018-08-08 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Myricetin Reduces Toxic Level of CAG Repeats RNA in Huntington's Disease (HD) and Spino Cerebellar Ataxia (SCAs).
ACS Chem. Biol., 13, 2018
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6B1G
 | | Solution structure of TDP-43 N-terminal domain dimer. | | 分子名称: | TAR DNA-binding protein 43, S48E Mutant, Y4R Mutant | | 著者 | Naik, M.T, Wang, A, Conicella, A, Fawzi, N.L. | | 登録日 | 2017-09-18 | | 公開日 | 2018-02-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | A single N-terminal phosphomimic disrupts TDP-43 polymerization, phase separation, and RNA splicing.
EMBO J., 37, 2018
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2MS6
 | | Human Telomeric G-quadruplex DNA sequence (TTAGGGT)4 complexed with Flavonoid Quercetin | | 分子名称: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, DNA_(5'-D(*TP*TP*AP*GP*GP*GP*T)-3') | | 著者 | Kumar, A, Tawani, A. | | 登録日 | 2014-07-24 | | 公開日 | 2015-01-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural Insight into the interaction of Flavonoids with Human Telomeric Sequence
Sci Rep, 5, 2015
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2MS5
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7BBL
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7FD2
 | | Cryo-EM structure of an alphavirus, Getah virus | | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 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 | Liu, Z, Liu, C, Wang, A. | | 登録日 | 2021-07-15 | | 公開日 | 2022-08-10 | | 実験手法 | ELECTRON MICROSCOPY (2.81 Å) | | 主引用文献 | Structure of infective Getah virus at 2.8 angstrom resolution determined by cryo-electron microscopy.
Cell Discov, 8, 2022
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2LXZ
 | | Solution Structure of the Antimicrobial Peptide Human Defensin 5 | | 分子名称: | Defensin-5 | | 著者 | Wommack, A.J, Robson, S.A, Wanniarahchi, Y.A, Wan, A, Turner, C.J, Nolan, E.M. | | 登録日 | 2012-09-10 | | 公開日 | 2012-11-28 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR solution structure and condition-dependent oligomerization of the antimicrobial Peptide human defensin 5.
Biochemistry, 51, 2012
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5JWO
 | | Crystal structure of foldswitch-stabilized KaiB in complex with the N-terminal CI domain of KaiC from Thermosynechococcus elongatus | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Circadian clock protein KaiB, Circadian clock protein kinase KaiC | | 著者 | Tseng, R, Goularte, N.F, Chavan, A, Luu, J, Chang, Y, Heilser, J, Tripathi, S, LiWang, A, Partch, C.L. | | 登録日 | 2016-05-12 | | 公開日 | 2017-03-29 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural basis of the day-night transition in a bacterial circadian clock.
Science, 355, 2017
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3JB4
 | | Structure of Ljungan virus: insight into picornavirus packaging | | 分子名称: | VP0, VP1, VP3 | | 著者 | Zhu, L, Wang, X.X, Ren, J.S, Porta, C, Wenham, H, Ekstrom, J.-O, Panjwani, A, Knowles, N.J, Kotecha, A, Siebert, A, Lindberg, M, Fry, E.E, Rao, Z.H, Tuthill, T.J, Stuart, D.I. | | 登録日 | 2015-07-21 | | 公開日 | 2015-10-21 | | 最終更新日 | 2019-12-18 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Structure of Ljungan virus provides insight into genome packaging of this picornavirus.
Nat Commun, 6, 2015
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2X1N
 | | Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design | | 分子名称: | 2-METHYL-N-[(1Z)-3-NITROCYCLOHEXA-2,4-DIEN-1-YLIDENE]-4,5-DIHYDRO[1,3]THIAZOLO[4,5-H]QUINAZOLIN-8-AMINE, ACE-LEU-ASN-PFF-NH2, CELL DIVISION PROTEIN KINASE 2, ... | | 著者 | Kontopidis, G, Andrews, M.J, McInnes, C, Plater, A, Innes, L, Renachowski, S, Cowan, A, Fischer, P.M, McIntyre, N.A, Griffiths, G, Barnett, A.L, Slawin, A.M.Z, Jackson, W, Thomas, M, Zheleva, D.I, Wang, S, Blake, D.G, Westwood, N.J. | | 登録日 | 2009-12-31 | | 公開日 | 2010-02-16 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Design, Synthesis, and Evaluation of 2-Methyl- and 2-Amino-N-Aryl-4,5-Dihydrothiazolo[4,5-H]Quinazolin-8-Amines as Ring-Constrained 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Cyclin-Dependent Kinase Inhibitors.
J.Med.Chem., 53, 2010
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2J48
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2UUE
 | | REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors | | 分子名称: | 1-(3,5-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID, 4-METHYL-5-{(2E)-2-[(4-MORPHOLIN-4-YLPHENYL)IMINO]-2,5-DIHYDROPYRIMIDIN-4-YL}-1,3-THIAZOL-2-AMINE, CELL DIVISION PROTEIN KINASE 2, ... | | 著者 | Andrews, M.J, Kontopidis, G, McInnes, C, Plater, A, Innes, L, Cowan, A, Jewsbury, P, Fischer, P.M. | | 登録日 | 2007-03-02 | | 公開日 | 2007-03-27 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Replace: A Strategy for Iterative Design of Cyclin- Binding Groove Inhibitors
Chembiochem, 7, 2006
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2V22
 | | REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors | | 分子名称: | CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N~2~-{[1-(4-CHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOL-3-YL]CARBONYL}-N~5~-(DIAMINOMETHYLIDENE)-L-ORNITHYL-L-LEUCYL-L-ISOLEUCYL-4-FLUORO-L-PHENYLALANINAMIDE | | 著者 | Andrews, M.J, Kontopidis, G, McInnes, C, Plater, A, Innes, L, Cowan, A, Jewsbury, P, Fischer, P.M. | | 登録日 | 2007-05-31 | | 公開日 | 2008-01-29 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Replace: A Strategy for Iterative Design of Cyclin- Binding Groove Inhibitors
Chembiochem, 7, 2006
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5JWR
 | | Crystal structure of foldswitch-stabilized KaiB in complex with the N-terminal CI domain of KaiC and a dimer of KaiA C-terminal domains from Thermosynechococcus elongatus | | 分子名称: | Circadian clock protein KaiA, Circadian clock protein KaiB, Circadian clock protein kinase KaiC, ... | | 著者 | Tseng, R, Goularte, N.F, Chavan, A, Luu, J, Chang, Y.G, Heilser, J, Tripathi, S, LiWang, A, Partch, C.L. | | 登録日 | 2016-05-12 | | 公開日 | 2017-03-29 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Structural basis of the day-night transition in a bacterial circadian clock.
Science, 355, 2017
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