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3D7T
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BU of 3d7t by Molmil
Structural basis for the recognition of c-Src by its inactivator Csk
分子名称: Proto-oncogene tyrosine-protein kinase Src, STAUROSPORINE, Tyrosine-protein kinase CSK
著者Levinson, N.M, Seeliger, M.A, Cole, P.A, Kuriyan, J.
登録日2008-05-21
公開日2008-08-05
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.899 Å)
主引用文献Structural basis for the recognition of c-Src by its inactivator Csk.
Cell(Cambridge,Mass.), 134, 2008
3D7U
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BU of 3d7u by Molmil
Structural basis for the recognition of c-Src by its inactivator Csk
分子名称: Proto-oncogene tyrosine-protein kinase Src, Tyrosine-protein kinase CSK
著者Levinson, N.M, Seeliger, M.A, Cole, P.A, Kuriyan, J.
登録日2008-05-21
公開日2008-08-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (4.111 Å)
主引用文献Structural basis for the recognition of c-Src by its inactivator Csk.
Cell(Cambridge,Mass.), 134, 2008
4MXY
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BU of 4mxy by Molmil
Src M314L T338M double mutant bound to kinase inhibitor bosutinib
分子名称: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Proto-oncogene tyrosine-protein kinase Src
著者Levinson, N.M, Boxer, S.G.
登録日2013-09-26
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.582 Å)
主引用文献A conserved water-mediated hydrogen bond network defines bosutinib's kinase selectivity.
Nat.Chem.Biol., 10, 2014
4MXZ
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Src M314L T338M double mutant bound to kinase inhibitor bosutinib
分子名称: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Proto-oncogene tyrosine-protein kinase Src
著者Levinson, N.M, Boxer, S.G.
登録日2013-09-26
公開日2013-12-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.582 Å)
主引用文献A conserved water-mediated hydrogen bond network defines bosutinib's kinase selectivity.
Nat.Chem.Biol., 10, 2014
4MXO
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human Src kinase bound to kinase inhibitor bosutinib
分子名称: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Proto-oncogene tyrosine-protein kinase Src
著者Levinson, N.M, Boxer, S.G.
登録日2013-09-26
公開日2013-12-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.105 Å)
主引用文献A conserved water-mediated hydrogen bond network defines bosutinib's kinase selectivity.
Nat.Chem.Biol., 10, 2014
4MXX
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Human Src A403T mutant bound to kinase inhibitor bosutinib
分子名称: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Proto-oncogene tyrosine-protein kinase Src
著者Levinson, N.M, Boxer, S.G.
登録日2013-09-26
公開日2013-12-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A conserved water-mediated hydrogen bond network defines bosutinib's kinase selectivity.
Nat.Chem.Biol., 10, 2014
2G1T
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BU of 2g1t by Molmil
A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain
分子名称: ATP-Peptide Conjugate, MAGNESIUM ION, Proto-oncogene tyrosine-protein kinase ABL1, ...
著者Levinson, N.M, Kuchment, O.
登録日2006-02-14
公開日2006-05-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A SRC-like inactive conformation in the abl tyrosine kinase domain.
Plos Biol., 4, 2006
2G2I
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A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-Peptide Conjugate, Abl Tyrosine Kinase
著者Levinson, N.M, Kuchment, O.
登録日2006-02-16
公開日2006-05-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献A SRC-like inactive conformation in the abl tyrosine kinase domain.
Plos Biol., 4, 2006
2G2H
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BU of 2g2h by Molmil
A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain
分子名称: 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, Abl Tyrosine
著者Levinson, N.M, Kuchment, O.
登録日2006-02-16
公開日2006-05-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A SRC-like inactive conformation in the abl tyrosine kinase domain.
Plos Biol., 4, 2006
2G2F
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BU of 2g2f by Molmil
A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain
分子名称: ATP-Peptide Conjugate, Abl Kinase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
著者Levinson, N.M, Kuchment, O.
登録日2006-02-15
公開日2006-05-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A SRC-like inactive conformation in the abl tyrosine kinase domain.
Plos Biol., 4, 2006
3UE4
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BU of 3ue4 by Molmil
Structural and spectroscopic analysis of the kinase inhibitor bosutinib binding to the Abl tyrosine kinase domain
分子名称: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Tyrosine-protein kinase ABL1
著者Boxer, S.G, Levinson, N.M.
登録日2011-10-28
公開日2012-04-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.424 Å)
主引用文献Structural and spectroscopic analysis of the kinase inhibitor bosutinib and an isomer of bosutinib binding to the abl tyrosine kinase domain.
Plos One, 7, 2012
8FOW
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BU of 8fow by Molmil
Ternary complex of CDK2 with small molecule ligands TW8672 and Dinaciclib
分子名称: 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, ...
著者Schonbrunn, E, Sun, L.
登録日2023-01-03
公開日2023-05-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
8FP5
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CDK2 liganded with ATP and Mg2+
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Cyclin-dependent kinase 2, ...
著者Schonbrunn, E, Sun, L.
登録日2023-01-04
公開日2023-05-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
8FP0
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BU of 8fp0 by Molmil
Ternary complex of CDK2 with small molecule ligands TW8672 and Roscovitine
分子名称: 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, Cyclin-dependent kinase 2, ...
著者Schonbrunn, E, Sun, L.
登録日2023-01-03
公開日2023-05-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
7RWE
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BU of 7rwe by Molmil
Crystal structure of CDK2 liganded with compound GPHR787
分子名称: 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid, Cyclin-dependent kinase 2
著者Sun, L, Schonbrunn, E.
登録日2021-08-19
公開日2022-08-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice.
J.Med.Chem., 66, 2023
7RWF
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BU of 7rwf by Molmil
Crystal structure of CDK2 in complex with TW8672
分子名称: 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, Cyclin-dependent kinase 2
著者Sun, L, Schonbrunn, E.
登録日2021-08-19
公開日2022-08-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
7RXO
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BU of 7rxo by Molmil
Crystal structure of CDK2 liganded with compound WN333
分子名称: 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(methoxycarbonyl)benzoic acid, Cyclin-dependent kinase 2
著者Sun, L, Schonbrunn, E.
登録日2021-08-23
公開日2022-08-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice.
J.Med.Chem., 66, 2023
7S4T
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BU of 7s4t by Molmil
Crystal structure of CDK2 liganded with compound EF2252
分子名称: 1,2-ETHANEDIOL, 2-{[2-(6-chloro-1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, Cyclin-dependent kinase 2
著者Sun, L, Schonbrunn, E.
登録日2021-09-09
公開日2022-09-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice.
J.Med.Chem., 66, 2023
7S84
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Crystal structure of CDK2 liganded with compound TW8972
分子名称: 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid, Cyclin-dependent kinase 2
著者Sun, L, Schonbrunn, E.
登録日2021-09-17
公開日2022-09-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
7S7A
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Crystal structure of CDK2 liganded with compound EF3019
分子名称: 1,2-ETHANEDIOL, 2-{[2-(2H-indazol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid, Cyclin-dependent kinase 2
著者Sun, L, Schonbrunn, E.
登録日2021-09-15
公開日2022-09-28
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice.
J.Med.Chem., 66, 2023
7S85
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Crystal structure of CDK2 liganded with compound WN316
分子名称: 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethoxy)benzoic acid, Cyclin-dependent kinase 2
著者Sun, L, Schonbrunn, E.
登録日2021-09-17
公開日2022-09-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice.
J.Med.Chem., 66, 2023

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件を2024-05-01に公開中

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