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PDB: 304 件

3N9C
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BU of 3n9c by Molmil
Mite-y Lysozyme: Marmite
分子名称: CHLORIDE ION, Lysozyme C
著者Newman, J, Peat, T.S.
登録日2010-05-28
公開日2011-06-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mite-y Lysozyme Crystals and Structures
To be Published
3N9E
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BU of 3n9e by Molmil
Mite-y Lysozyme: Promite
分子名称: CHLORIDE ION, Lysozyme C
著者Newman, J, Peat, T.S.
登録日2010-05-28
公開日2011-06-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Mite-y Lysozyme Crystals and Structures
To be Published
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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BU of 6mak by Molmil
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
6PGE
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BU of 6pge by Molmil
WDR5delta32 bound to ethyl 3-(4-(hydroxymethyl)-1H-imidazol-2-yl)propanoate
分子名称: 1,2-ETHANEDIOL, 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 (1.76 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PG7
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BU of 6pg7 by Molmil
WDR5delta32 bound to (2-(3-methoxy-3-phenylpropyl)-1H-imidazol-4-yl)methanol
分子名称: DI(HYDROXYETHYL)ETHER, WD repeat-containing protein 5, {2-[(3S)-3-methoxy-3-phenylpropyl]-1H-imidazol-4-yl}methanol
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
6PGD
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BU of 6pgd by Molmil
WDR5delta32 bound to peptidomimetic
分子名称: N-acetyl-L-alanyl-5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvalyl-L-valinamide, 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 (1.5 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PGC
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BU of 6pgc by Molmil
WDR5delta32 bound to methyl benzyl(4-(4-(hydroxymethyl)-1H-imidazol-2-yl)butyl)carbamate
分子名称: SULFATE ION, WD repeat-containing protein 5, methyl benzyl{4-[4-(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 (1.81 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PG6
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BU of 6pg6 by Molmil
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
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BU of 6pg3 by Molmil
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
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BU of 6pgf by Molmil
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
6PG5
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BU of 6pg5 by Molmil
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
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BU of 6pgb by Molmil
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
6PG8
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BU of 6pg8 by Molmil
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
6PG4
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BU of 6pg4 by Molmil
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
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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
7K09
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BU of 7k09 by Molmil
Puromycin N-acetyltransferase in complex with acetyl-CoA
分子名称: ACETYL COENZYME *A, Puromycin N-acetyltransferase
著者Caputo, A.T, Newman, J, Adams, T.E, Peat, T.S.
登録日2020-09-03
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.313 Å)
主引用文献Structure-guided selection of puromycin N-acetyltransferase mutants with enhanced selection stringency for deriving mammalian cell lines expressing recombinant proteins.
Sci Rep, 11, 2021
7M26
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BU of 7m26 by Molmil
Human carbonic anhydrase II in complex with pioglitazone
分子名称: (5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION
著者Mueller, S.L, Peat, T.S.
登録日2021-03-16
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening.
Molecules, 26, 2021
7M24
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BU of 7m24 by Molmil
Human carbonic anhydrase II in complex with (R)-rosiglitazone
分子名称: (R)-ROSIGLITAZONE, Carbonic anhydrase 2, ZINC ION
著者Mueller, S.L, Peat, T.S.
登録日2021-03-16
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening.
Molecules, 26, 2021
7M23
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BU of 7m23 by Molmil
Human carbonic anhydrase II in complex with troglitazone
分子名称: (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE, Carbonic anhydrase 2, ZINC ION
著者Mueller, S.L, Peat, T.S.
登録日2021-03-16
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening.
Molecules, 26, 2021
4ABF
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BU of 4abf by Molmil
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
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BU of 4abb by Molmil
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
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BU of 4ab8 by Molmil
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
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BU of 4abd by Molmil
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

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