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7PUS
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BU of 7pus by Molmil
ERK5 in complex with Pyrrole Carboxamide scaffold
分子名称: 4-[3,6-bis(chloranyl)-2-fluoranyl-phenyl]carbonyl-~{N}-(1-methylpyrazol-4-yl)-1~{H}-pyrrole-2-carboxamide, Mitogen-activated protein kinase 7
著者Tucker, J.A, Martin, M.P, Endicott, J.A, Noble, M.E.N.
登録日2021-09-30
公開日2022-05-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Parallel Optimization of Potency and Pharmacokinetics Leading to the Discovery of a Pyrrole Carboxamide ERK5 Kinase Domain Inhibitor.
J.Med.Chem., 65, 2022
2JCQ
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The hyaluronan binding domain of murine CD44 in a Type A complex with an HA 8-mer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD44 ANTIGEN, GLYCEROL
著者Banerji, S, Wright, A.J, Noble, M.E.M, Mahoney, D.J, Campbell, I.D, Day, A.J, Jackson, D.G.
登録日2007-01-03
公開日2007-01-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structures of the Cd44-Hyaluronan Complex Provide Insight Into a Fundamental Carbohydrate-Protein Interaction.
Nat.Struct.Mol.Biol., 14, 2008
2JCP
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The hyaluronan binding domain of murine CD44
分子名称: CD44 ANTIGEN
著者Banerji, S, Wright, A.J, Noble, M.E.M, Mahoney, D.J, Campbell, I.D, Day, A.J, Jackson, D.G.
登録日2007-01-03
公開日2007-01-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structures of the Cd44-Hyaluronan Complex Provide Insight Into a Fundamental Carbohydrate-Protein Interaction.
Nat.Struct.Mol.Biol., 14, 2008
2JCR
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The hyaluronan binding domain of murine CD44 in a Type B complex with an HA 8-mer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD44 ANTIGEN, GLYCEROL
著者Banerji, S, Wright, A.J, Noble, M.E.M, Mahoney, D.J, Campbell, I.D, Day, A.J, Jackson, D.G.
登録日2007-01-03
公開日2007-01-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of the Cd44-Hyaluronan Complex Provide Insight Into a Fundamental Carbohydrate-Protein Interaction.
Nat.Struct.Mol.Biol., 14, 2008
5OFM
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Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 5-amino-1-methyl-1H-indole
分子名称: 1-methylindol-5-amine, D-3-phosphoglycerate dehydrogenase
著者Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J.
登録日2017-07-11
公開日2017-08-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 5-amino-1-methyl-1H-indole
To be published
1OW7
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Paxillin LD4 motif bound to the Focal Adhesion Targeting (FAT) domain of the Focal Adhesion Kinase
分子名称: Focal adhesion kinase 1, Paxillin
著者Hoellerer, M.K, Noble, M.E.M, Labesse, G, Werner, J.M, Arold, S.T.
登録日2003-03-28
公開日2003-10-21
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular Recognition of Paxillin LD Motifs by the Focal Adhesion Targeting Domain
Structure, 11, 2003
1OGU
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STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH A 2-ARYLAMINO-4-CYCLOHEXYLMETHYL-5-NITROSO-6-AMINOPYRIMIDINE INHIBITOR
分子名称: 4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ...
著者Pratt, D.J, Endicott, J.A, Noble, M.E.M.
登録日2003-05-13
公開日2003-09-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Based Design of 2-Arylamino-4-Cyclohexyl Methyl-5-Nitroso-6-Aminopyrimidine Inhibitors of Cyclin-Dependent Kinases 1 and 2
Bioorg.Med.Chem.Lett., 13, 2003
1OW8
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Paxillin LD2 motif bound to the Focal Adhesion Targeting (FAT) domain of the Focal Adhesion Kinase
分子名称: Focal adhesion kinase 1, Paxillin
著者Hoellerer, M.K, Noble, M.E.M, Labesse, G, Werner, J.M, Arold, S.T.
登録日2003-03-28
公開日2003-10-21
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Molecular Recognition of Paxillin LD Motifs by the Focal Adhesion Targeting Domain
Structure, 11, 2003
1H24
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CDK2/CyclinA in complex with a 9 residue recruitment peptide from E2F
分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, TRANSCRIPTION FACTOR E2F1
著者Tews, I, Cheng, K.Y, Lowe, E.D, Noble, M.E.M, Brown, N.R, Gul, S, Gamblin, S, Johnson, L.N.
登録日2002-07-31
公開日2003-02-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Specificity Determinants of Recruitment Peptides Bound to Phospho-Cdk2/Cyclin A
Biochemistry, 41, 2002
1H28
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CDK2/CyclinA in complex with an 11-residue recruitment peptide from p107
分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, RETINOBLASTOMA-LIKE PROTEIN 1
著者Tews, I, Cheng, K.Y, Lowe, E.D, Noble, M.E.M, Brown, N.R, Gul, S, Gamblin, S, Johnson, L.N.
登録日2002-07-31
公開日2003-02-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Specificity Determinants of Recruitment Peptides Bound to Phospho-Cdk2/Cyclin A
Biochemistry, 41, 2002
7PX5
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ATAD2 in complex with 1-Methyl-2-quinolone
分子名称: 1,2-ETHANEDIOL, 1-METHYLQUINOLIN-2(1H)-ONE, ATPase family AAA domain-containing protein 2, ...
著者Martin, M.P, Noble, M.E.N.
登録日2021-10-07
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Exiting the tunnel of uncertainty: crystal soak to validated hit.
Acta Crystallogr D Struct Biol, 78, 2022
1H27
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CDK2/CyclinA in complex with an 11-residue recruitment peptide from p27
分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, CYCLIN-DEPENDENT KINASE INHIBITOR 1B
著者Tews, I, Cheng, K.Y, Lowe, E.D, Noble, M.E.M, Brown, N.R, Gul, S, Gamblin, S, Johnson, L.N.
登録日2002-07-31
公開日2003-02-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Specificity Determinants of Recruitment Peptides Bound to Phospho-Cdk2/Cyclin A
Biochemistry, 41, 2002
1H25
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CDK2/Cyclin A in complex with an 11-residue recruitment peptide from retinoblastoma-associated protein
分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, RETINOBLASTOMA-ASSOCIATED PROTEIN
著者Tews, I, Cheng, K.Y, Lowe, E.D, Noble, M.E.M, Brown, N.R, Gul, S, Gamblin, S, Johnson, L.N.
登録日2002-07-31
公開日2003-02-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Specificity Determinants of Recruitment Peptides Bound to Phospho-Cdk2/Cyclin A
Biochemistry, 41, 2002
1H26
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CDK2/CyclinA in complex with an 11-residue recruitment peptide from p53
分子名称: CELL DIVISION PROTEIN KINASE 2, CELLULAR TUMOR ANTIGEN P53, CYCLIN A2
著者Tews, I, Cheng, K.Y, Lowe, E.D, Noble, M.E.M, Brown, N.R, Gul, S, Gamblin, S, Johnson, L.N.
登録日2002-07-31
公開日2003-02-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Specificity Determinants of Recruitment Peptides Bound to Phospho-Cdk2/Cyclin A
Biochemistry, 41, 2002
7QU7
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ATAD2 in complex with FragLite16
分子名称: 1,2-ETHANEDIOL, 4-bromanyl-1,8-naphthyridine, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-01-17
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QWO
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ATAD2 in complex with FragLite6
分子名称: 1,2-ETHANEDIOL, 4-bromanyl-1~{H}-pyridin-2-one, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-01-25
公開日2022-11-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QX1
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ATAD2 in complex with FragLite7
分子名称: 1,2-ETHANEDIOL, 4-iodanyl-3~{H}-pyridin-2-one, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-01-26
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QXT
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ATAD2 in complex with FragLite10
分子名称: 1,2-ETHANEDIOL, 6-bromo-1,3-dihydro-2H-indol-2-one, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-01-27
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QYL
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ATAD2 in complex with FragLite23
分子名称: 1,2-ETHANEDIOL, 2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-01-28
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QUK
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ATAD2 in complex with FragLite1
分子名称: 1,2-ETHANEDIOL, 4-bromo-1H-pyrazole, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-01-18
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QUM
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ATAD2 in complex with FragLite2
分子名称: 1,2-ETHANEDIOL, 4-IODOPYRAZOLE, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-01-18
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QYK
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ATAD2 in complex with FragLite18
分子名称: (4-bromanylpyridin-2-yl)methanol, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-01-28
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7R05
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ATAD2 in complex with PepLite-Ile
分子名称: (2~{S},3~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-pentanamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-02-01
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7R0Y
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ATAD2 in complex with PepLite-Glu
分子名称: (2~{S})-2-acetamido-~{N}-prop-2-enyl-pentanediamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-02-02
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QZZ
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ATAD2 in complex with FragLite31
分子名称: 1,2-ETHANEDIOL, 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-02-01
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022

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