PDB: 97138 件ウェブページステータス検索Chemie searchBIRD

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6V0O	PRMT5 bound to the PBM peptide from pICln 分子名称: ACETYL GROUP, Methylosome protein 50, PBM peptide, ... 著者 McMillan, B.J, Raymond, D.D. 登録日 2019-11-19 公開日 2020-08-26 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.86 Å) 主引用文献 Molecular basis for substrate recruitment to the PRMT5 methylosome. Mol.Cell, 81, 2021
5D2V	Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 4 Wild Type 分子名称: De novo designed kemp eliminase KE07 著者 Jackson, C.J, Hong, N.-S, Carr, P.D. 登録日 2015-08-06 公開日 2016-09-07 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 1 Wild Type To Be Published
6I5U	Cryo-EM informed directed evolution of Nitrilase 4 leads to a change in quaternary structure. 分子名称: Bifunctional nitrilase/nitrile hydratase NIT4 著者 Mulelu, A.E, Woodward, J.D. 登録日 2018-11-14 公開日 2019-11-20 最終更新日 2024-05-15 実験手法 ELECTRON MICROSCOPY (3.9 Å) 主引用文献 Cryo-EM informed directed evolution of nitrilase 4 leads to a change in quaternary structure. To Be Published
5DX0	Crystal structure of CARM1, sinefungin, and H3 peptide (R17) 分子名称: GLYCEROL, H3 peptide, Histone-arginine methyltransferase CARM1, ... 著者 Boriack-Sjodin, P.A. 登録日 2015-09-23 公開日 2015-11-25 最終更新日 2016-03-30 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Structural Insights into Ternary Complex Formation of Human CARM1 with Various Substrates. Acs Chem.Biol., 11, 2016
5DYS	Crystal Structure of T94I rhodopsin mutant 分子名称: ACETATE ION, PALMITIC ACID, RETINAL, ... 著者 Singhal, A, Guo, Y, Matkovic, M, Schertler, G, Deupi, X, Yan, E, Standfuss, J. 登録日 2015-09-25 公開日 2016-08-10 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural role of the T94I rhodopsin mutation in congenital stationary night blindness. Embo Rep., 17, 2016
5DWQ	Crystal structure of CARM1, sinefungin, and methylated H3 peptide (R17) 分子名称: GLYCEROL, Histone-arginine methyltransferase CARM1, SINEFUNGIN, ... 著者 Boriack-Sjodin, P.A. 登録日 2015-09-22 公開日 2015-11-25 最終更新日 2016-03-30 実験手法 X-RAY DIFFRACTION (2.36 Å) 主引用文献 Structural Insights into Ternary Complex Formation of Human CARM1 with Various Substrates. Acs Chem.Biol., 11, 2016
5J16	Crystal structure of Inositol monophosphate bound SaIMPase-II 分子名称: CALCIUM ION, D-MYO-INOSITOL-1-PHOSPHATE, Inositol monophosphatase family protein, ... 著者 Dutta, A, Bhattacharyya, S, Das, A.K. 登録日 2016-03-29 公開日 2017-02-08 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal structure of Inositol monophosphate bound SaIMPase-II To Be Published
6V79	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (CD2) complexed with NF2376 分子名称: 1,2-ETHANEDIOL, 4-{[(2S)-3,3-dimethyl-2-(pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]methyl}-N-hydroxybenzamide, Hdac6 protein, ... 著者 Osko, J.D, Christianson, D.W. 登録日 2019-12-08 公開日 2020-12-02 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.03951526 Å) 主引用文献 Harnessing the Role of HDAC6 in Idiopathic Pulmonary Fibrosis: Design, Synthesis, Structural Analysis, and Biological Evaluation of Potent Inhibitors. J.Med.Chem., 64, 2021
5ENC	Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with N-(2,6-Dichlorobenzyl)acetamide (SGC - Diamond I04-1 fragment screening) 分子名称: 1,2-ETHANEDIOL, PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]ethanamide 著者 Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) 登録日 2015-11-09 公開日 2016-04-27 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
7XWR	Human Estrogen Receptor beta Ligand-binding Domain in Complex with (S)-2-(2-chloro-4-hydroxyphenyl)-3-(4-hydroxyphenyl)propanenitrile 分子名称: (2~{S})-2-(2-chloranyl-4-oxidanyl-phenyl)-3-(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, SRC peptide 著者 Furuya, N, Handa, C. 登録日 2022-05-27 公開日 2022-07-20 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.164 Å) 主引用文献 Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives. J.Steroid Biochem.Mol.Biol., 222, 2022
7XWQ	Human Estrogen Receptor beta Ligand-binding Domain in Complex with (R)-2-(2-chloro-4-hydroxyphenyl)-3-(4-hydroxyphenyl)propanenitrile 分子名称: (2~{R})-2-(2-chloranyl-4-oxidanyl-phenyl)-3-(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, SRC peptide 著者 Furuya, N, Handa, C. 登録日 2022-05-27 公開日 2022-07-20 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives. J.Steroid Biochem.Mol.Biol., 222, 2022
7XWP	Human Estrogen Receptor beta Ligand-binding Domain in Complex with (S)-3-(2-chloro-4-hydroxyphenyl)-2-(4-hydroxyphenyl)propanenitrile 分子名称: (2~{S})-3-(2-chloranyl-4-oxidanyl-phenyl)-2-(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, SRC peptide 著者 Furuya, N, Handa, C. 登録日 2022-05-27 公開日 2022-07-20 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.919 Å) 主引用文献 Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives. J.Steroid Biochem.Mol.Biol., 222, 2022
7XVZ	Human Estrogen Receptor beta Ligand-binding Domain in Complex with (R)-3-(2-chloro-4-hydroxyphenyl)-2-(4-hydroxyphenyl)propanenitrile 分子名称: (2~{R})-3-(2-chloranyl-4-oxidanyl-phenyl)-2-(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, SRC peptide 著者 Furuya, N, Handa, C. 登録日 2022-05-25 公開日 2022-07-20 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives. J.Steroid Biochem.Mol.Biol., 222, 2022
7E0F	CryoEM structure of G51D alpha-synuclein amyloid fibril 分子名称: Alpha-synuclein 著者 Sun, Y.P, Long, H.F, Xia, W.C, Liu, C. 登録日 2021-01-27 公開日 2021-10-06 最終更新日 2024-06-05 実験手法 ELECTRON MICROSCOPY (3.02 Å) 主引用文献 The hereditary mutation G51D unlocks a distinct fibril strain transmissible to wild-type alpha-synuclein. Nat Commun, 12, 2021
7BPI	The crystal structue of PDE10A complexed with 14 分子名称: 8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline, MAGNESIUM ION, ZINC ION, ... 著者 Yang, Y, Zhang, S, Zhou, Q, Huang, Y.-Y, Guo, L, Luo, H.-B. 登録日 2020-03-22 公開日 2021-01-27 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.4000864 Å) 主引用文献 Discovery of highly selective and orally available benzimidazole-based phosphodiesterase 10 inhibitors with improved solubility and pharmacokinetic properties for treatment of pulmonary arterial hypertension. Acta Pharm Sin B, 10, 2020
6V8X	VRC01 Bound BG505 F14 HIV-1 SOSIP Envelope Trimer Structure 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... 著者 Henderson, R, Acharya, P. 登録日 2019-12-12 公開日 2020-02-05 最終更新日 2020-07-29 実験手法 ELECTRON MICROSCOPY (3 Å) 主引用文献 Disruption of the HIV-1 Envelope allosteric network blocks CD4-induced rearrangements. Nat Commun, 11, 2020
5ETM	E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.46 angstrom resolution 分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[(4-fluorophenyl)methylsulfanyl]-1,7-dihydropurin-6-one, CALCIUM ION, ... 著者 Dennis, M.L, Peat, T.S, Swarbrick, J.D. 登録日 2015-11-17 公開日 2016-05-04 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.46 Å) 主引用文献 Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli. J.Med.Chem., 59, 2016
5ETN	E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.40 angstrom resolution 分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[(4-chlorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one, ADENOSINE-5'-TRIPHOSPHATE, ... 著者 Dennis, M.L, Peat, T.S, Swarbrick, J.D. 登録日 2015-11-17 公開日 2016-05-04 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli. J.Med.Chem., 59, 2016
5ETK	E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.09 angstrom resolution 分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one, CALCIUM ION, ... 著者 Dennis, M.L, Peat, T.S, Swarbrick, J.D. 登録日 2015-11-17 公開日 2016-05-04 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.09 Å) 主引用文献 Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli. J.Med.Chem., 59, 2016
5ETO	E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.07 angstrom resolution 分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 4-[(2-azanyl-6-oxidanylidene-1,9-dihydropurin-8-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile, CALCIUM ION, ... 著者 Dennis, M.L, Peat, T.S, Swarbrick, J.D. 登録日 2015-11-17 公開日 2016-05-04 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.07 Å) 主引用文献 Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli. J.Med.Chem., 59, 2016
5ETL	E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.82 angstrom resolution 分子名称: 2-[(2-azanyl-6-oxidanylidene-3,9-dihydropurin-8-yl)sulfanylmethyl]benzenecarbonitrile, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ADENOSINE-5'-TRIPHOSPHATE, ... 著者 Dennis, M.L, Peat, T.S, Swarbrick, J.D. 登録日 2015-11-17 公開日 2016-05-04 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli. J.Med.Chem., 59, 2016
6VEJ	TriABC transporter from Pseudomonas aeruginosa 分子名称: (2R)-2-(hexadecanoyloxy)propyl nonadecanoate, DODECYL-ALPHA-D-MALTOSIDE, PALMITIC ACID, ... 著者 Sygusch, J, Fabre, L, Rouiller, I, Bhattacharyya, S. 登録日 2020-01-02 公開日 2020-09-30 最終更新日 2021-03-17 実験手法 ELECTRON MICROSCOPY (4.5 Å) 主引用文献 A "Drug Sweeping" State of the TriABC Triclosan Efflux Pump from Pseudomonas aeruginosa. Structure, 29, 2021
2YIS	triazolopyridine inhibitors of p38 kinase. 分子名称: 1-[3-tert-butyl-1-(3-chloro-4-hydroxyphenyl)-1H-pyrazol-5-yl]-3-{2-[(3-{2-[(2-hydroxyethyl)sulfanyl]phenyl}[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]benzyl}urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, MITOGEN-ACTIVATED PROTEIN KINASE 14 著者 Millan, D.S, Anderson, M, Bazin, R, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthwaite, R.A, Mahnke, A, Mathais, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniack, M.H, Yeadon, M. 登録日 2011-05-16 公開日 2011-11-30 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease. J.Med.Chem., 54, 2011
5ETV	S. aureus 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.72 angstrom resolution 分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,9-dihydropurin-6-one, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... 著者 Dennis, M.L, Peat, T.S, Swarbrick, J.D. 登録日 2015-11-18 公開日 2016-05-04 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli. J.Med.Chem., 59, 2016
5ETS	S. aureus 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.95 angstrom resolution 分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[(4-chlorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... 著者 Dennis, M.L, Peat, T.S, Swarbrick, J.D. 登録日 2015-11-18 公開日 2016-05-04 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli. J.Med.Chem., 59, 2016

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