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6PG9
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BU of 6pg9 by Molmil
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
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BU of 6pga by Molmil
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
5U0Y
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BU of 5u0y by Molmil
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
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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
5U10
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BU of 5u10 by Molmil
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
5U14
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BU of 5u14 by Molmil
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
5U12
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BU of 5u12 by Molmil
E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one
分子名称: 2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-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 (1.839 Å)
主引用文献8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
5U0Z
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E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative
分子名称: (2R)-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl](phenyl)acetic acid, 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 (2.29 Å)
主引用文献8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
5U13
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BU of 5u13 by Molmil
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
5V79
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BU of 5v79 by Molmil
E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-((2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)-N-phenylacetamide
分子名称: 2-[(2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-phenylacetamide, Dihydropteroate synthase, NITRATE ION
著者Dennis, M.L, Peat, T.S, Swarbrick, J.D.
登録日2017-03-20
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
5V7A
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BU of 5v7a by Molmil
E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-((2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)acetic acid
分子名称: CHLORIDE ION, Dihydropteroate synthase, [(2-amino-9-methyl-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2017-03-20
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
5U0V
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BU of 5u0v by Molmil
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
5U0W
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BU of 5u0w by Molmil
E. coli dihydropteroate synthase complexed with 9-methylguanine
分子名称: 9-METHYLGUANINE, ACETIC ACID, Dihydropteroate synthase
著者Chhabra, S, 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 (1.968 Å)
主引用文献8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
6WEV
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BU of 6wev by Molmil
Crystal structures of human E-NPP 1: bound to N-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide
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, CALCIUM ION, ...
著者Peat, T.S, Dennis, M, Newman, J.
登録日2020-04-03
公開日2020-09-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structures of human ENPP1 in apo and bound forms.
Acta Crystallogr D Struct Biol, 76, 2020
6WEU
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BU of 6weu by Molmil
Crystal structures of human E-NPP 1: bound to adenosine-5'-thio-monophosphate
分子名称: 1,2-ETHANEDIOL, 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Peat, T.S, Dennis, M, Newman, J.
登録日2020-04-03
公開日2020-09-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structures of human ENPP1 in apo and bound forms.
Acta Crystallogr D Struct Biol, 76, 2020
6WFJ
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BU of 6wfj by Molmil
Crystal structures of human E-NPP 1: apo
分子名称: 1,2-ETHANEDIOL, 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Peat, T.S, Dennis, M, Newman, J.
登録日2020-04-03
公開日2020-09-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of human ENPP1 in apo and bound forms.
Acta Crystallogr D Struct Biol, 76, 2020
6PII
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BU of 6pii by Molmil
The evolving story of AtzT, a periplasmic binding protein
分子名称: Atrazine periplasmic binding protein, CALCIUM ION, ETHYL MERCURY ION, ...
著者Peat, T.S, Newman, J, Scott, C, Esquirol, L, Dennis, M, Nebl, T.
登録日2019-06-26
公開日2019-11-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献The evolving story of AtzT, a periplasmic binding protein.
Acta Crystallogr D Struct Biol, 75, 2019
6PI5
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BU of 6pi5 by Molmil
The evolving story of AtzT, a periplasmic binding protein
分子名称: Atrazine periplasmic binding protein, DIMETHYL SULFOXIDE, GUANINE
著者Peat, T.S, Newman, J, Scott, C, Esquirol, L, Dennis, M, Nebl, T.
登録日2019-06-26
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献The evolving story of AtzT, a periplasmic binding protein.
Acta Crystallogr D Struct Biol, 75, 2019
6PI6
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BU of 6pi6 by Molmil
The evolving story of AtzT, a periplasmic binding protein
分子名称: 4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-ol, Atrazine periplasmic binding protein, DIMETHYL SULFOXIDE
著者Peat, T.S, Newman, J, Scott, C, Esquirol, L, Dennis, M, Nebl, T.
登録日2019-06-26
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The evolving story of AtzT, a periplasmic binding protein.
Acta Crystallogr D Struct Biol, 75, 2019
6WEW
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BU of 6wew by Molmil
Crystal structures of human E-NPP 1: bound to N-{4-[(7-methoxyquinolin-4-yl)oxy]phenyl}sulfuric diamide
分子名称: 1,2-ETHANEDIOL, 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Peat, T.S, Dennis, M, Newman, J.
登録日2020-04-03
公開日2020-09-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Crystal structures of human ENPP1 in apo and bound forms.
Acta Crystallogr D Struct Biol, 76, 2020
6WET
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BU of 6wet by Molmil
Crystal structures of human E-NPP 1: apo
分子名称: 1,2-ETHANEDIOL, 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Peat, T.S, Dennis, M, Newman, J.
登録日2020-04-02
公開日2020-09-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures of human ENPP1 in apo and bound forms.
Acta Crystallogr D Struct Biol, 76, 2020
6MAJ
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BU of 6maj by Molmil
HBO1 is required for the maintenance of leukaemia stem cells
分子名称: 4-fluoro-N'-[(3-hydroxyphenyl)sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide, BRD1 protein, GLYCEROL, ...
著者Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I.
登録日2018-08-27
公開日2019-12-25
最終更新日2020-01-22
実験手法X-RAY DIFFRACTION (2.139 Å)
主引用文献HBO1 is required for the maintenance of leukaemia stem cells.
Nature, 577, 2020
6MAK
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HBO1 is required for the maintenance of leukaemia stem cells
分子名称: ACETYL COENZYME *A, BRD1 protein, Histone acetyltransferase KAT7, ...
著者Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I.
登録日2018-08-27
公開日2019-12-25
最終更新日2020-01-22
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献HBO1 is required for the maintenance of leukaemia stem cells.
Nature, 577, 2020
8DD5
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BU of 8dd5 by Molmil
Crystal structure of KAT6A in complex with inhibitor CTx-648 (PF-9363)
分子名称: 2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide, Histone acetyltransferase KAT6A, ZINC ION
著者Greasley, S.E, Johnson, E, Brodsky, O.
登録日2022-06-17
公開日2023-07-05
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Targeting KAT6A/KAT6B dependencies in breast cancer with a novel selective, orally bioavailable KAT6 inhibitor, CTx-648/PF-9363
To Be Published
6CT2
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BU of 6ct2 by Molmil
MYST histone acetyltransferase KAT6A/B in complex with WM-1119
分子名称: 3-fluoro-N'-[(2-fluorophenyl)sulfonyl]-5-(pyridin-2-yl)benzohydrazide, Histone acetyltransferase KAT8, MAGNESIUM ION, ...
著者Ren, B, Peat, T.S.
登録日2018-03-22
公開日2018-08-01
最終更新日2018-08-22
実験手法X-RAY DIFFRACTION (2.128 Å)
主引用文献Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth.
Nature, 560, 2018

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