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WDR5delta23 bound to N-(4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)acetamide
分子名称:	CHLORIDE ION, N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}acetamide, SULFATE ION, ...
著者	Dennis, M.L, Peat, T.S.
登録日	2019-06-24
公開日	2019-12-11
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (1.68 Å)
主引用文献	Fragment screening for a protein-protein interaction inhibitor to WDR5. Struct Dyn., 6, 2019

6PG3

WDR5delta23 bound to (2-butyl-1H-imidazol-4-yl)methanol
分子名称:	(2-butyl-1H-imidazol-4-yl)methanol, WD repeat-containing protein 5
著者	Dennis, M.L, Peat, T.S.
登録日	2019-06-24
公開日	2019-12-11
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (2.04 Å)
主引用文献	Fragment screening for a protein-protein interaction inhibitor to WDR5. Struct Dyn., 6, 2019

6PGF

WDR5delta32 bound to N-(4-(4-(hydroxymethyl)-1H-imidazol-2-yl)butyl)acrylamide
分子名称:	N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}prop-2-enamide, SULFATE ION, WD repeat-containing protein 5
著者	Dennis, M.L, Peat, T.S.
登録日	2019-06-24
公開日	2019-12-11
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (1.54 Å)
主引用文献	Fragment screening for a protein-protein interaction inhibitor to WDR5. Struct Dyn., 6, 2019

6PG8

WDR5delta23 bound to (2-(3-phenylpropyl)-1H-imidazol-4-yl)methanol
分子名称:	CHLORIDE ION, SULFATE ION, WD repeat-containing protein 5, ...
著者	Dennis, M.L, Peat, T.S.
登録日	2019-06-24
公開日	2019-12-11
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (1.67 Å)
主引用文献	Fragment screening for a protein-protein interaction inhibitor to WDR5. Struct Dyn., 6, 2019

6PG5

WDR5delta32 bound to benzyl (4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)carbamate
分子名称:	SULFATE ION, WD repeat-containing protein 5, benzyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
著者	Dennis, M.L, Peat, T.S.
登録日	2019-06-24
公開日	2019-12-11
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (1.99 Å)
主引用文献	Fragment screening for a protein-protein interaction inhibitor to WDR5. Struct Dyn., 6, 2019

6PGB

WDR5delta32 bound to N-(4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)-2-phenylacetamide
分子名称:	N-{4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}-2-phenylacetamide, SULFATE ION, WD repeat-containing protein 5
著者	Dennis, M.L, Peat, T.S.
登録日	2019-06-24
公開日	2019-12-11
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (1.73 Å)
主引用文献	Fragment screening for a protein-protein interaction inhibitor to WDR5. Struct Dyn., 6, 2019

6PG4

WDR5delta32 bound to (2-methyl-1H-imidazol-4-yl)methanol
分子名称:	(2-methyl-1H-imidazol-4-yl)methanol, SULFATE ION, WD repeat-containing protein 5
著者	Dennis, M.L, Peat, T.S.
登録日	2019-06-24
公開日	2019-12-11
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (1.6 Å)
主引用文献	Fragment screening for a protein-protein interaction inhibitor to WDR5. Struct Dyn., 6, 2019

6PG9

WDR5delta23 bound to N-(4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)benzamide
分子名称:	N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}benzamide, WD repeat-containing protein 5
著者	Dennis, M.L, Peat, T.S.
登録日	2019-06-24
公開日	2019-12-11
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (1.75 Å)
主引用文献	Fragment screening for a protein-protein interaction inhibitor to WDR5. Struct Dyn., 6, 2019

6PGA

WDR5delta32 bound to methyl (4-(4-(hydroxymethyl)-1H-imidazol-2-yl)butyl)carbamate
分子名称:	SULFATE ION, WD repeat-containing protein 5, methyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
著者	Dennis, M.L, Peat, T.S.
登録日	2019-06-24
公開日	2019-12-11
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (2.45 Å)
主引用文献	Fragment screening for a protein-protein interaction inhibitor to WDR5. Struct Dyn., 6, 2019

4ABF

Fragments bound to bovine trypsin for the SAMPL challenge
分子名称:	1,2-ETHANEDIOL, 1-(5-BROMO-1-BENZOTHIOPHEN-3-YL)METHANAMINE, CALCIUM ION, ...
著者	Newman, J, Peat, T.S.
登録日	2011-12-08
公開日	2012-02-08
最終更新日	2023-12-20
実験手法	X-RAY DIFFRACTION (1.3 Å)
主引用文献	The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012

4ABB

Fragments bound to bovine trypsin for the SAMPL challenge
分子名称:	1,2-ETHANEDIOL, 1-(1-BENZOTHIOPHEN-3-YL)METHANAMINE, CALCIUM ION, ...
著者	Newman, J, Peat, T.S.
登録日	2011-12-08
公開日	2012-02-08
最終更新日	2023-12-20
実験手法	X-RAY DIFFRACTION (1.25 Å)
主引用文献	The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012

4AB8

Fragments bound to bovine trypsin for the SAMPL challenge
分子名称:	1,2-ETHANEDIOL, 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine, CALCIUM ION, ...
著者	Newman, J, Peat, T.S.
登録日	2011-12-08
公開日	2012-02-08
最終更新日	2023-12-20
実験手法	X-RAY DIFFRACTION (1.6 Å)
主引用文献	The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012

4ABD

Fragments bound to bovine trypsin for the SAMPL challenge
分子名称:	1,2-ETHANEDIOL, 1-[3-(1H-pyrrol-1-yl)phenyl]methanamine, CALCIUM ION, ...
著者	Newman, J, Peat, T.S.
登録日	2011-12-08
公開日	2012-02-08
最終更新日	2023-12-20
実験手法	X-RAY DIFFRACTION (1.25 Å)
主引用文献	The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012

4ABE

Fragments bound to bovine trypsin for the SAMPL challenge
分子名称:	(3-PYRAZOL-1-YLPHENYL)METHANAMINE, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者	Newman, J, Peat, T.S.
登録日	2011-12-08
公開日	2012-02-08
最終更新日	2023-12-20
実験手法	X-RAY DIFFRACTION (1.3 Å)
主引用文献	The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012

4ABG

Fragments bound to bovine trypsin for the SAMPL challenge
分子名称:	1,2-ETHANEDIOL, 1-[3-(4-METHYLPIPERAZIN-1-YL)PHENYL]METHANAMINE, CALCIUM ION, ...
著者	Newman, J, Peat, T.S.
登録日	2011-12-08
公開日	2012-02-08
最終更新日	2023-12-20
実験手法	X-RAY DIFFRACTION (1.52 Å)
主引用文献	The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012

4ABA

Fragments bound to bovine trypsin for the SAMPL challenge
分子名称:	1,2-ETHANEDIOL, 1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine, CALCIUM ION, ...
著者	Newman, J, Peat, T.S.
登録日	2011-12-08
公開日	2012-02-08
最終更新日	2023-12-20
実験手法	X-RAY DIFFRACTION (1.25 Å)
主引用文献	The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012

4ABH

Fragments bound to bovine trypsin for the SAMPL challenge
分子名称:	1,2-ETHANEDIOL, 1-(3-PYRROLIDIN-1-YLPHENYL)METHANAMINE, CALCIUM ION, ...
著者	Newman, J, Peat, T.S.
登録日	2011-12-08
公開日	2012-02-08
最終更新日	2023-12-20
実験手法	X-RAY DIFFRACTION (1.25 Å)
主引用文献	The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012

4AB9

Fragments bound to bovine trypsin for the SAMPL challenge
分子名称:	1,2-ETHANEDIOL, 1-(2,3-dihydro-1-benzofuran-5-yl)methanamine, CALCIUM ION, ...
著者	Newman, J, Peat, T.S.
登録日	2011-12-08
公開日	2012-02-08
最終更新日	2023-12-20
実験手法	X-RAY DIFFRACTION (1.2 Å)
主引用文献	The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012

5U0Y

E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: [(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetic acid
分子名称:	1,2-ETHANEDIOL, Dihydropteroate synthase, [(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetic acid
著者	Dennis, M.L, Peat, T.S, Swarbrick, J.D.
登録日	2016-11-27
公開日	2017-12-06
最終更新日	2023-10-04
実験手法	X-RAY DIFFRACTION (1.88 Å)
主引用文献	8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase. Chemistry, 24, 2018

5U11

E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-methylacetamide
分子名称:	2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-methylacetamide, Dihydropteroate synthase
著者	Dennis, M.L, Peat, T.S, Swarbrick, J.D.
登録日	2016-11-27
公開日	2017-12-06
最終更新日	2023-10-04
実験手法	X-RAY DIFFRACTION (1.994 Å)
主引用文献	8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase. Chemistry, 24, 2018

5U13

E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-amino-8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6H-purin-6-one
分子名称:	2-amino-8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6H-purin-6-one, Dihydropteroate synthase
著者	Dennis, M.L, Peat, T.S, Swarbrick, J.D.
登録日	2016-11-27
公開日	2017-12-06
最終更新日	2023-10-04
実験手法	X-RAY DIFFRACTION (1.951 Å)
主引用文献	8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase. Chemistry, 24, 2018

5U10

E. coli dihydropteroate synthase complexed with pteroic acid
分子名称:	Dihydropteroate synthase, PHOSPHATE ION, PTEROIC ACID
著者	Dennis, M.L, Peat, T.S, Swarbrick, J.D.
登録日	2016-11-27
公開日	2017-12-06
最終更新日	2023-10-04
実験手法	X-RAY DIFFRACTION (2.04 Å)
主引用文献	8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase. Chemistry, 24, 2018

5U0V

E. coli dihydropteroate synthase complexed with 6-methylamino-5-nitrosoisocytosine
分子名称:	2-amino-6-(methylamino)-5-nitrosopyrimidin-4(3H)-one, ACETIC ACID, Dihydropteroate synthase, ...
著者	Peat, T.S, Dennis, M.L, Swarbrick, J.D.
登録日	2016-11-27
公開日	2017-12-06
最終更新日	2023-10-04
実験手法	X-RAY DIFFRACTION (1.7 Å)
主引用文献	8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase. Chemistry, 24, 2018

5TY1

Identification of a New Zinc Binding Chemotype by Fragment Screening
分子名称:	(5R)-5-(2,4-dimethoxyphenyl)-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, SODIUM ION, ...
著者	Peat, T.S.
登録日	2016-11-18
公開日	2017-10-04
最終更新日	2023-10-04
実験手法	X-RAY DIFFRACTION (1.6 Å)
主引用文献	Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017

5U14

E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 4-{2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]ethyl}benzene-1-sulfonamide
分子名称:	4-{2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]ethyl}benzene-1-sulfonamide, Dihydropteroate synthase
著者	Dennis, M.L, Peat, T.S, Swarbrick, J.D.
登録日	2016-11-27
公開日	2017-12-06
最終更新日	2023-10-04
実験手法	X-RAY DIFFRACTION (1.953 Å)
主引用文献	8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase. Chemistry, 24, 2018

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