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PDB: 96 件
6Z45
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CDK9-Cyclin-T1 complex bound by compound 24
分子名称: (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cyclin-T1, ...
著者Ferguson, A, Collie, G.W.
登録日2020-05-22
公開日2020-12-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.37 Å)
主引用文献Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies.
J.Med.Chem., 63, 2020
4P74
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PheRS in complex with compound 3a
分子名称: N-[(3S)-1,1-dioxidotetrahydrothiophen-3-yl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4P71
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Apo PheRS from P. aeuriginosa
分子名称: Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4WEJ
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BU of 4wej by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 with a R4 substituted allyl monocarbam
分子名称: (3R,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5R)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3
著者Ferguson, A.D.
登録日2014-09-10
公開日2015-04-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.045 Å)
主引用文献SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3.
Acs Med.Chem.Lett., 6, 2015
4P90
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Crystal structure of the kinase domain of human PAK1 in complex with compound 15
分子名称: Serine/threonine-protein kinase PAK 1, [2-chloro-5-(hydroxymethyl)phenyl]{5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl}methanone
著者Ferguson, A.D.
登録日2014-04-01
公開日2014-09-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Identification and optimisation of 7-azaindole PAK1 inhibitors with improved potency and kinase selectivity.
MEDCHEMCOMM, 2014
6W45
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Crystal structure of HAO1 in complex with biaryl acid inhibitor - compound 3
分子名称: 2-chloranyl-4-[2-[[(6-chloranyl-1~{H}-indol-2-yl)carbonyl-methyl-amino]methyl]-5-fluoranyl-phenyl]benzoic acid, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1
著者Ferguson, A.D.
登録日2020-03-10
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of Novel, Potent Inhibitors of Hydroxy Acid Oxidase 1 (HAO1) Using DNA-Encoded Chemical Library Screening.
J.Med.Chem., 64, 2021
6W44
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Crystal structure of HAO1 in complex with indazole acid inhibitor - compound 4
分子名称: 5-[methyl-[(2-propoxypyridin-3-yl)methyl]amino]-2~{H}-indazole-3-carboxylic acid, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1
著者Ferguson, A.D.
登録日2020-03-10
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Discovery of Novel, Potent Inhibitors of Hydroxy Acid Oxidase 1 (HAO1) Using DNA-Encoded Chemical Library Screening.
J.Med.Chem., 64, 2021
6W4C
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Crystal structure of HAO1 in complex with indazole acid inhibitor - compound 5
分子名称: 5-[[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-2-oxidanyl-phenyl]methylamino]-2~{H}-indazole-3-carboxylic acid, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1
著者Ferguson, A.D.
登録日2020-03-10
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of Novel, Potent Inhibitors of Hydroxy Acid Oxidase 1 (HAO1) Using DNA-Encoded Chemical Library Screening.
J.Med.Chem., 64, 2021
5E1E
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BU of 5e1e by Molmil
Human JAK1 kinase in complex with compound 30 at 2.30 Angstroms resolution
分子名称: 6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-3H-imidazo[4,5-b]pyridin-7-amine, DI(HYDROXYETHYL)ETHER, Tyrosine-protein kinase JAK1
著者Ferguson, A.D.
登録日2015-09-29
公開日2015-11-25
最終更新日2015-12-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of azabenzimidazoles as potent JAK1 selective inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
1FI1
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BU of 1fi1 by Molmil
FhuA in complex with lipopolysaccharide and rifamycin CGP4832
分子名称: 3-HYDROXY-TETRADECANOIC ACID, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, DIPHOSPHATE, ...
著者Ferguson, A.D, Koedding, J, Boes, C, Walker, G, Coulton, J.W, Diederichs, K, Braun, V, Welte, W.
登録日2000-08-03
公開日2001-08-29
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Active transport of an antibiotic rifamycin derivative by the outer-membrane protein FhuA.
Structure, 9, 2001
1QFG
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E. COLI FERRIC HYDROXAMATE RECEPTOR (FHUA)
分子名称: 3-HYDROXY-TETRADECANOIC ACID, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, DIPHOSPHATE, ...
著者Ferguson, A.D, Welte, W, Hofmann, E, Lindner, B, Holst, O, Coulton, J.W, Diederichs, K.
登録日1999-04-10
公開日2000-07-26
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A conserved structural motif for lipopolysaccharide recognition by procaryotic and eucaryotic proteins.
Structure Fold.Des., 8, 2000
2Q7M
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BU of 2q7m by Molmil
Crystal structure of human FLAP with MK-591
分子名称: 3-[3-(TERT-BUTYLTHIO)-1-(4-CHLOROBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID, Arachidonate 5-lipoxygenase-activating protein
著者Ferguson, A.D.
登録日2007-06-07
公開日2007-08-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (4.25 Å)
主引用文献Crystal structure of inhibitor-bound human 5-lipoxygenase-activating protein.
Science, 317, 2007
5H8B
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Crystal structure of CK2 with compound 2
分子名称: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
著者Ferguson, A.D.
登録日2015-12-23
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Potent and Selective CK2 Kinase Inhibitors with Effects on Wnt Pathway Signaling in Vivo.
Acs Med.Chem.Lett., 7, 2016
5H8G
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BU of 5h8g by Molmil
Crystal structure of CK2 with compound 7b
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha, ...
著者Ferguson, A.D.
登録日2015-12-23
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Potent and Selective CK2 Kinase Inhibitors with Effects on Wnt Pathway Signaling in Vivo.
Acs Med.Chem.Lett., 7, 2016
2Q7R
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BU of 2q7r by Molmil
Crystal structure of human FLAP with an iodinated analog of MK-591
分子名称: 3-[3-(3,3-DIMETHYLBUTANOYL)-1-(4-IODOBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID, Arachidonate 5-lipoxygenase-activating protein
著者Ferguson, A.D.
登録日2007-06-07
公開日2007-08-21
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Crystal structure of inhibitor-bound human 5-lipoxygenase-activating protein.
Science, 317, 2007
5H8E
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BU of 5h8e by Molmil
Crystal structure of CK2 with compound 7h
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha, ...
著者Ferguson, A.D.
登録日2015-12-23
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Potent and Selective CK2 Kinase Inhibitors with Effects on Wnt Pathway Signaling in Vivo.
Acs Med.Chem.Lett., 7, 2016
3S7D
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BU of 3s7d by Molmil
Structural Basis of Substrate Methylation and Inhibition of SMYD2
分子名称: (R,R)-2,3-BUTANEDIOL, Monomethylated p53 peptide, N-lysine methyltransferase SMYD2, ...
著者Ferguson, A.D.
登録日2011-05-26
公開日2011-08-10
最終更新日2011-09-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of Substrate Methylation and Inhibition of SMYD2.
Structure, 19, 2011
6BSK
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BU of 6bsk by Molmil
Human PIM1 kinase in complex with compound 12b
分子名称: 1,2-ETHANEDIOL, 4-{6-[6-(propan-2-ylamino)-1H-indazol-1-yl]pyrazin-2-yl}benzoic acid, SULFATE ION, ...
著者Ferguson, A.D.
登録日2017-12-03
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.573 Å)
主引用文献Discovery of 2,6-disubstituted pyrazine derivatives as inhibitors of CK2 and PIM kinases.
Bioorg. Med. Chem. Lett., 28, 2018
3S7B
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Structural Basis of Substrate Methylation and Inhibition of SMYD2
分子名称: (R,R)-2,3-BUTANEDIOL, N-cyclohexyl-N~3~-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[2-(5-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide, N-lysine methyltransferase SMYD2, ...
著者Ferguson, A.D.
登録日2011-05-26
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structural Basis of Substrate Methylation and Inhibition of SMYD2.
Structure, 19, 2011
3S7F
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Structural Basis of Substrate Methylation and Inhibition of SMYD2
分子名称: (R,R)-2,3-BUTANEDIOL, N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ...
著者Ferguson, A.D.
登録日2011-05-26
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural Basis of Substrate Methylation and Inhibition of SMYD2.
Structure, 19, 2011
6B3E
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BU of 6b3e by Molmil
Crystal structure of human CDK12/CyclinK in complex with an inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[(2S)-1-(6-{[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]amino}-9-ethyl-9H-purin-2-yl)piperidin-2-yl]ethan-1-ol, Cyclin-K, ...
著者Ferguson, A.D.
登録日2017-09-21
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Structure-Based Design of Selective Noncovalent CDK12 Inhibitors.
ChemMedChem, 13, 2018
4DTK
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BU of 4dtk by Molmil
Novel and selective pan-PIM kinase inhibitor
分子名称: (5Z)-5-{2-[(3R)-3-aminopiperidin-1-yl]-3-(propan-2-yloxy)benzylidene}-1,3-thiazolidine-2,4-dione, 1,2-ETHANEDIOL, SULFATE ION, ...
著者Ferguson, A.D.
登録日2012-02-21
公開日2012-07-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Discovery of novel benzylidene-1,3-thiazolidine-2,4-diones as potent and selective inhibitors of the PIM-1, PIM-2, and PIM-3 protein kinases.
Bioorg.Med.Chem.Lett., 22, 2012
3S7J
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Structural Basis of Substrate Methylation and Inhibition of SMYD2
分子名称: N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ZINC ION
著者Ferguson, A.D.
登録日2011-05-26
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Structural Basis of Substrate Methylation and Inhibition of SMYD2.
Structure, 19, 2011
4P73
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PheRS in complex with compound 1a
分子名称: 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4P75
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PheRS in complex with compound 4a
分子名称: 3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014

 

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