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7VDQ
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BU of 7vdq by Molmil
The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 7
分子名称: 2-[[7-[[2-fluoranyl-4-[3-(hydroxymethyl)pyrazol-1-yl]phenyl]amino]-1,6-naphthyridin-2-yl]-(1-methylpiperidin-4-yl)amino]ethanoic acid, Cyclin-dependent kinase 5 activator 1, p25, ...
著者Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M.
登録日2021-09-07
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
7VDS
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BU of 7vds by Molmil
The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 24
分子名称: 1,2-ETHANEDIOL, 5-fluoranyl-4-[[2-[(1R)-1-(1-methylpiperidin-4-yl)-1-oxidanyl-ethyl]-1,6-naphthyridin-7-yl]amino]-2-morpholin-4-yl-benzenecarbonitrile, CHLORIDE ION, ...
著者Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M.
登録日2021-09-07
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
7VDP
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BU of 7vdp by Molmil
The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 1
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Cyclin-dependent kinase 5 activator 1, ...
著者Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M.
登録日2021-09-07
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
7VDR
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BU of 7vdr by Molmil
The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 13
分子名称: (1R)-1-[7-[(2-fluoranyl-4-pyrazol-1-yl-phenyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol, 1,2-ETHANEDIOL, Cyclin-dependent kinase 5 activator 1, ...
著者Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M.
登録日2021-09-07
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
7VDU
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BU of 7vdu by Molmil
The structure of cyclin-dependent kinase 2 (CDK2) in complex with Compound 1
分子名称: Cyclin-dependent kinase 2, [1-[3-fluoranyl-4-[(2-piperidin-4-yloxy-1,6-naphthyridin-7-yl)amino]phenyl]pyrazol-3-yl]methanol
著者Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M.
登録日2021-09-07
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
1FA5
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BU of 1fa5 by Molmil
CRYSTAL STRUCTURE OF THE ZN(II)-BOUND GLYOXALASE I OF ESCHERICHIA COLI
分子名称: GLYOXALASE I, ZINC ION
著者He, M.M, Clugston, S.L, Honek, J.F, Matthews, B.W.
登録日2000-07-12
公開日2000-09-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Determination of the structure of Escherichia coli glyoxalase I suggests a structural basis for differential metal activation.
Biochemistry, 39, 2000
1FA6
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BU of 1fa6 by Molmil
CRYSTAL STRUCTURE OF THE CO(II)-BOUND GLYOXALASE I OF ESCHERICHIA COLI
分子名称: COBALT (II) ION, GLYOXALASE I
著者He, M.M, Clugston, S.L, Honek, J.F, Matthews, B.W.
登録日2000-07-12
公開日2000-09-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Determination of the structure of Escherichia coli glyoxalase I suggests a structural basis for differential metal activation.
Biochemistry, 39, 2000
1F9Z
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BU of 1f9z by Molmil
CRYSTAL STRUCTURE OF THE NI(II)-BOUND GLYOXALASE I FROM ESCHERICHIA COLI
分子名称: GLYOXALASE I, NICKEL (II) ION
著者He, M.M, Clugston, S.L, Honek, J.F, Matthews, B.W.
登録日2000-07-11
公開日2000-09-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Determination of the structure of Escherichia coli glyoxalase I suggests a structural basis for differential metal activation.
Biochemistry, 39, 2000
1FA8
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BU of 1fa8 by Molmil
CRYSTAL STRUCTURE OF THE APO FORM GLYOXALASE I OF ESCHERICHIA COLI
分子名称: GLYOXALASE I
著者He, M.M, Clugston, S.L, Honek, J.F, Matthews, B.W.
登録日2000-07-12
公開日2000-09-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Determination of the structure of Escherichia coli glyoxalase I suggests a structural basis for differential metal activation.
Biochemistry, 39, 2000
1FA7
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BU of 1fa7 by Molmil
CRYSTAL STRUCTURE OF CD(II)-BOUND GLYOXALASE I OF ESCHERICHIA COLI
分子名称: CADMIUM ION, GLYOXALASE I
著者He, M.M, Clugston, S.L, Honek, J.F, Matthews, B.W.
登録日2000-07-12
公開日2000-09-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Determination of the structure of Escherichia coli glyoxalase I suggests a structural basis for differential metal activation.
Biochemistry, 39, 2000
3K3I
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BU of 3k3i by Molmil
p38alpha bound to novel DGF-out compound PF-00215955
分子名称: (3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14
著者Kazmirski, S.L, DiNitto, J.P.
登録日2009-10-02
公開日2009-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The design, synthesis and potential utility of fluorescence probes that target DFG-out conformation of p38alpha for high throughput screening binding assay.
Chem.Biol.Drug Des., 74, 2009
3K3J
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BU of 3k3j by Molmil
P38alpha bound to novel DFG-out compound PF-00416121
分子名称: 2-(4-fluorophenyl)-3-oxo-6-pyridin-4-yl-N-[2-(trifluoromethyl)benzyl]-2,3-dihydropyridazine-4-carboxamide, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14
著者Kazmirski, S.L, DiNitto, J.P.
登録日2009-10-02
公開日2009-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.995 Å)
主引用文献The Design, Synthesis and Potential Utility of Fluorescence Probes that Target DFG-out Conformation of p38alpha for High Throughput Screening Binding Assay.
Chem.Biol.Drug Des., 74, 2009

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