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BU of 7bew by Molmil

Glyceraldehyde 3-phosphate dehydrogenase from Campylobacter jejeuni - NAD(P) complex
分子名称:	DI(HYDROXYETHYL)ETHER, Glyceraldehyde-3-phosphate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者	Moody, P.C.E, Ayna, A.
登録日	2020-12-29
公開日	2022-01-12
最終更新日	2024-06-19
実験手法	X-RAY DIFFRACTION (2.25 Å)
主引用文献	Crystal Structures of a dual coenzyme specific glyceraldehyde-3-phosphate dehydrogenase from the enteric pathogen Campylobacter jejuni To Be Published

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BU of 7bex by Molmil

Glyceraldehyde 3-phosphate dehydrogenase from Campylobacter jejeuni - ADP complex
分子名称:	ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, BETA-MERCAPTOETHANOL, ...
著者	Moody, P.C.E, Ayna, A.
登録日	2020-12-29
公開日	2022-01-12
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (2.054 Å)
主引用文献	structure of Camplylobacter jejueni GAPDH in complex with ADP To Be Published

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BU of 4kb7 by Molmil

HCV NS5B GT1B N316Y with CMPD 32
分子名称:	5-cyclopropyl-2-(4-fluorophenyl)-6-[{2-[(3R)-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-3-yl]ethyl}(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide, HCV Polymerase
著者	Williams, S.P, Kahler, K.M, Shotwell, J.B.
登録日	2013-04-23
公開日	2013-05-08
最終更新日	2024-03-13
実験手法	X-RAY DIFFRACTION (1.85 Å)
主引用文献	Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase. J.Med.Chem., 57, 2014

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BU of 4khr by Molmil

HCV NS5B GT1A C316Y with GSK5852
分子名称:	NS5B RNA-dependent RNA polymerase, SULFATE ION, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
著者	Williams, S.P, Kahler, K.M, Shotwell, J.B.
登録日	2013-05-01
公開日	2013-05-29
最終更新日	2024-03-13
実験手法	X-RAY DIFFRACTION (2.45 Å)
主引用文献	Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase. J.Med.Chem., 57, 2014

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BU of 4ke5 by Molmil

HCV NS5B GT1B N316Y with GSK5852
分子名称:	HCV Polymerase, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
著者	Williams, S.P, Kahler, K.M, Shotwell, J.B.
登録日	2013-04-25
公開日	2013-05-15
最終更新日	2024-03-13
実験手法	X-RAY DIFFRACTION (2.11 Å)
主引用文献	Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase. J.Med.Chem., 57, 2014

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BU of 4kai by Molmil

HCV NS5B GT1B N316 with GSK5852A
分子名称:	HCV Polymerase, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
著者	Williams, S.P, Kahler, K.M, Shotwell, J.B.
登録日	2013-04-22
公開日	2013-05-08
最終更新日	2024-03-13
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase. J.Med.Chem., 57, 2014

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BU of 4kbi by Molmil

HCV NS5B GT1B N316Y with CMPD 4
分子名称:	5-cyclopropyl-6-{[(7-fluoro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)methyl](methylsulfonyl)amino}-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide, HCV Polymerase
著者	Williams, S.P, Kahler, K.M, Shotwell, J.B.
登録日	2013-04-23
公開日	2013-05-08
最終更新日	2024-03-13
実験手法	X-RAY DIFFRACTION (2.06 Å)
主引用文献	Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase. J.Med.Chem., 57, 2014

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BU of 4khm by Molmil

HCV NS5B GT1A with GSK5852
分子名称:	HCV Polymerase, SULFATE ION, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
著者	Williams, S.P, Kahler, K.M, Shotwell, J.B.
登録日	2013-04-30
公開日	2013-05-15
最終更新日	2024-03-13
実験手法	X-RAY DIFFRACTION (1.7 Å)
主引用文献	Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase. J.Med.Chem., 57, 2014

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BU of 6mvq by Molmil

HCV NS5B 1b N316 bound to Compound 31
分子名称:	(4-{1-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-1H-1,2,4-triazol-5-yl}-2-fluorophenyl)boronic acid, HCV Polymerase
著者	Williams, S.P, Kahler, K, Price, D.J, Peat, A.J.
登録日	2018-10-26
公開日	2019-09-04
最終更新日	2024-03-13
実験手法	X-RAY DIFFRACTION (2.14 Å)
主引用文献	Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor. J.Med.Chem., 62, 2019

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BU of 6mvp by Molmil

HCV NS5B 1b N316 bound to Compound 18
分子名称:	(4-{[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}phenyl)boronic acid, Genome polyprotein
著者	Williams, S.P, Kahler, K, Price, D.J, Peat, A.J.
登録日	2018-10-26
公開日	2019-09-04
最終更新日	2024-03-13
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor. J.Med.Chem., 62, 2019

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BU of 6mvo by Molmil

HCV NS5B 1A Y316 bound to Compound 49
分子名称:	6-[(7-chloro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide, RNA-directed RNA polymerase, SULFATE ION
著者	Williams, S.P, Kahler, K, Price, D.J, Peat, A.J.
登録日	2018-10-26
公開日	2019-09-04
最終更新日	2024-03-13
実験手法	X-RAY DIFFRACTION (1.95 Å)
主引用文献	Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor. J.Med.Chem., 62, 2019

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BU of 6mvk by Molmil

HCV NS5B 1b N316 bound to Compound 18
分子名称:	(4-{(4S)-3-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-2-oxo-1,3-oxazolidin-4-yl}-2-fluorophenyl)boronic acid, HCV Polymerase
著者	Williams, S.P, Kahler, K, Price, D.J, Peat, A.J.
登録日	2018-10-26
公開日	2019-09-04
最終更新日	2024-03-13
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor. J.Med.Chem., 62, 2019

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件を2024-09-18に公開中

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