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PDB: 62 件
2GM1
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BU of 2gm1 by Molmil
Crystal structure of the mitotic kinesin eg5 in complex with mg-adp and n-(3-aminopropyl)-n-((3-benzyl-5-chloro-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)(cyclopropyl)methyl)-4-methylbenzamide
分子名称: ADENOSINE-5'-DIPHOSPHATE, KINESIN-RELATED MOTOR PROTEIN EG5, MAGNESIUM ION, ...
著者Sheriff, S.
登録日2006-04-05
公開日2006-06-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Synthesis and SAR of pyrrolotriazine-4-one based Eg5 inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2X7E
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BU of 2x7e by Molmil
Crystal structure of human kinesin Eg5 in complex with (R)-fluorastrol
分子名称: (4R)-5-[(S)-(3,4-DIFLUOROPHENYL)(HYDROXY)METHYL]-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-3,4-DIHYDROPYRIMIDINE-2(1H)-THIONE, ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, ...
著者Kaan, H.Y.K, Ulaganathan, V, Rath, O, Laggner, C, Prokopcova, H, Dallinger, D, Kappe, C.O, Kozielski, F.
登録日2010-02-26
公開日2010-07-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis for Inhibition of Eg5 by Dihydropyrimidines: Stereoselectivity of Antimitotic Inhibitors Enastron, Dimethylenastron and Fluorastrol.
J.Med.Chem., 53, 2010
4AS7
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Eg5 complex 1
分子名称: ADENOSINE-5'-DIPHOSPHATE, CADMIUM ION, CHLORIDE ION, ...
著者Talapatra, S.K, Kozielski, F.
登録日2012-04-29
公開日2013-05-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Mitotic Kinesin Eg5 Overcomes Inhibition to the Phase I/II Clinical Candidate Sb743921 by an Allosteric Resistance Mechanism.
J.Med.Chem., 56, 2013
3K3B
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BU of 3k3b by Molmil
Co-crystal structure of the human kinesin Eg5 with a novel tetrahydro-beta-carboline
分子名称: 3-[(1R)-2-acetyl-6-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl]phenol, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Bussiere, D.E, Bellamacina, C, Le, V.
登録日2009-10-02
公開日2009-12-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The discovery of tetrahydro-beta-carbolines as inhibitors of the kinesin Eg5.
Bioorg.Med.Chem.Lett., 20, 2010
4A5Y
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BU of 4a5y by Molmil
Intermediate state of human kinesin Eg5 in complex with Ispinesib
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ISPINESIB MESILATE, ...
著者Kaan, H.Y.K, Kozielski, F.
登録日2011-10-29
公開日2012-11-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献"Snapshots" of Ispinesib-Induced Conformational Changes in the Mitotic Kinesin Eg5.
J.Biol.Chem., 288, 2013
1YRS
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BU of 1yrs by Molmil
Crystal structure of KSP in complex with inhibitor 1
分子名称: 3-[(5S)-1-ACETYL-3-(2-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-5-YL]PHENOL, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ...
著者Cox, C.D, Breslin, M.J, Mariano, B.J, Coleman, P.J, Buser, C.A, Walsh, E.S, Hamilton, K, Kohl, N.E, Torrent, M, Yan, Y, Kuo, L.C, Hartman, G.D.
登録日2005-02-04
公開日2005-04-12
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Kinesin spindle protein (KSP) inhibitors. Part 1: The discovery of 3,5-diaryl-4,5-dihydropyrazoles as potent and selective inhibitors of the mitotic kinesin KSP
BIOORG.MED.CHEM.LETT., 15, 2005
2FL2
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BU of 2fl2 by Molmil
crystal structure of KSP in complex with inhibitor 19
分子名称: (1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL]-2-OXOETHANAMINE, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ...
著者Yan, Y.
登録日2006-01-05
公開日2006-02-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Kinesin spindle protein (KSP) inhibitors. Part 2: the design, synthesis, and characterization of 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP.
Bioorg.Med.Chem.Lett., 16, 2006
2FL6
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BU of 2fl6 by Molmil
crystal structure of KSP in complex with inhibitor 6
分子名称: (2S)-4-(2,5-DIFLUOROPHENYL)-N,N-DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ...
著者Yan, Y.
登録日2006-01-05
公開日2006-02-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Kinesin spindle protein (KSP) inhibitors. Part 2: the design, synthesis, and characterization of 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP.
Bioorg.Med.Chem.Lett., 16, 2006
2Q2Y
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BU of 2q2y by Molmil
Crystal Structure of KSP in complex with Inhibitor 1
分子名称: 1-{(3R,3AR)-3-[3-(4-ACETYLPIPERAZIN-1-YL)PROPYL]-8-FLUORO-3-PHENYL-3A,4-DIHYDRO-3H-PYRAZOLO[5,1-C][1,4]BENZOXAZIN-2-YL}ETHANONE, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ...
著者Yan, Y.
登録日2007-05-29
公開日2007-09-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Kinesin spindle protein (KSP) inhibitors. Part 8: Design and synthesis of 1,4-diaryl-4,5-dihydropyrazoles as potent inhibitors of the mitotic kinesin KSP.
Bioorg.Med.Chem.Lett., 17, 2007
3KEN
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BU of 3ken by Molmil
Human Eg5 in complex with S-trityl-L-cysteine
分子名称: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, MAGNESIUM ION, ...
著者Parke, C.L, Wojcik, E.J, Kim, S, Worthylake, D.K.
登録日2009-10-26
公開日2010-03-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Allosteric drug discrimination is coupled to mechanochemical changes in the kinesin-5 motor core.
J.Biol.Chem., 285, 2010
4B7B
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BU of 4b7b by Molmil
Eg5-3
分子名称: ADENOSINE-5'-DIPHOSPHATE, CADMIUM ION, CALCIUM ION, ...
著者Talapatra, S.K, Kozielski, F.
登録日2012-08-17
公開日2013-07-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Mitotic Kinesin Eg5 Overcomes Inhibition to the Phase I/II Clinical Candidate Sb743921 by an Allosteric Resistance Mechanism.
J.Med.Chem., 56, 2013
2G1Q
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BU of 2g1q by Molmil
crystal structure of KSP in complex with inhibitor 9h
分子名称: (5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)-N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ...
著者Yan, Y.
登録日2006-02-14
公開日2006-10-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Kinesin spindle protein (KSP) inhibitors. Part 4: Structure-based design of 5-alkylamino-3,5-diaryl-4,5-dihydropyrazoles as potent, water-soluble inhibitors of the mitotic kinesin KSP.
Bioorg.Med.Chem.Lett., 16, 2006
4A28
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BU of 4a28 by Molmil
Eg5-2
分子名称: ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, MAGNESIUM ION
著者Talapatra, S.K, Kozielski, F.
登録日2011-09-22
公開日2012-10-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The Mitotic Kinesin Eg5 Overcomes Inhibition to the Phase I/II Clinical Candidate Sb743921 by an Allosteric Resistance Mechanism.
J.Med.Chem., 56, 2013
4AP0
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BU of 4ap0 by Molmil
The mitotic kinesin Eg5 in complex with Mg-ADP and ispinesib
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ISPINESIB MESILATE, ...
著者Schuettelkopf, A.W, Talapatra, S.K, Kozielski, F.
登録日2012-03-30
公開日2012-09-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.594 Å)
主引用文献The Structure of the Ternary Eg5-Adp-Ispinesib Complex
Acta Crystallogr.,Sect.D, 68, 2012
2XAE
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BU of 2xae by Molmil
Crystal structure of human kinesin Eg5 in complex with (R)-2-amino-3-((S)-2-methyl-1,1-diphenylbutylthio)propanoic acid
分子名称: (2R)-2-AMINO-3-[(4-CHLOROPHENYL)-DIPHENYL-METHYL]SULFANYL-PROPANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Kaan, H.Y.K, Weiss, J, Menger, D, Ulaganathan, V, Tkocz, K, Laggner, C, Popowycz, F, Joseph, B, Kozielski, F.
登録日2010-03-31
公開日2011-03-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Activity Relationship and Multidrug Resistance Study of New S-Trityl-L-Cysteine Derivatives as Inhibitors of Eg5.
J.Med.Chem., 54, 2011
5ZO7
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BU of 5zo7 by Molmil
Kinesin spindle protein Eg5 in complex with STLC-type inhibitor PVEI0138
分子名称: (2R)-2-azanyl-3-[[2-(4-methoxyphenyl)-2-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaenyl]sulfanyl]propanoic acid, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ...
著者Yokoyama, H, Sato, K.
登録日2018-04-12
公開日2018-10-10
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and Thermodynamic Basis of the Enhanced Interaction between Kinesin Spindle Protein Eg5 and STLC-type Inhibitors.
Acs Omega, 3, 2018
2IEH
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BU of 2ieh by Molmil
Crystal structure of human kinesin Eg5 in complex with (R)-mon97, a new monastrol-based inhibitor that binds as (R)-enantiomer
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Kinesin-like protein KIF11, ...
著者Garcia-Saez, I, Kozielski, F.
登録日2006-09-19
公開日2007-01-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of human Eg5 in complex with a new monastrol-based inhibitor bound in the R configuration.
J.Biol.Chem., 282, 2007
5ZO9
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BU of 5zo9 by Molmil
Eg5 motor domain in complex with STLC-type inhibitor PVEI0021 (C2 type)
分子名称: (2R)-2-azanyl-3-[(4-methoxyphenyl)-diphenyl-methyl]sulfanyl-propanoic acid, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ...
著者Yokoyama, H, Sato, K.
登録日2018-04-12
公開日2018-10-10
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural and Thermodynamic Basis of the Enhanced Interaction between Kinesin Spindle Protein Eg5 and STLC-type Inhibitors.
Acs Omega, 3, 2018
4A51
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BU of 4a51 by Molmil
Crystal structure of human kinesin Eg5 in complex with 1-(3-(((2-Aminoethyl)thio)diphenylmethyl)phenyl)ethanone hydrochloride
分子名称: 1-(3-{[(2-aminoethyl)sulfanyl](diphenyl)methyl}phenyl)ethanone, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Kaan, H.Y.K, Kozielski, F.
登録日2011-10-24
公開日2012-10-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Triphenylbutanamines: Kinesin Spindle Protein Inhibitors with in Vivo Antitumor Activity.
J.Med.Chem., 55, 2012
4A50
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BU of 4a50 by Molmil
Crystal structure of human kinesin Eg5 in complex with 2-Amino-5-(3-methylphenyl)-5,5-diphenylpentanoic acid
分子名称: (2R)-2-AMINO-5-(3-METHYLPHENYL)-5,5-DIPHENYLPROPANOIC ACID, (2S)-2-AMINO-5-(3-METHYLPHENYL)-5,5-DIPHENYLPROPANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, ...
著者Kaan, H.Y.K, Kozielski, F.
登録日2011-10-24
公開日2012-10-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Triphenylbutanamines: Kinesin Spindle Protein Inhibitors with in Vivo Antitumor Activity.
J.Med.Chem., 55, 2012
4BBG
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BU of 4bbg by Molmil
Crystal structure of human kinesin Eg5 in complex with 3-(((2-Aminoethyl)sulfanyl)(3-ethylphenyl) phenylmethyl)phenol
分子名称: 3-[(R)-2-azanylethylsulfanyl-(3-ethylphenyl)-phenyl-methyl]phenol, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Kaan, H.Y.K, Kozielski, F.
登録日2012-09-22
公開日2013-05-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Optimized S-Trityl-L-Cysteine-Based Inhibitors of Kinesin Spindle Protein with Potent in Vivo Antitumor Activity in Lung Cancer Xenograft Models.
J.Med.Chem., 56, 2013
6HKY
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BU of 6hky by Molmil
Eg5-inhibitor complex
分子名称: (2~{S})-2-(3-azanylpropyl)-5-[2,5-bis(fluoranyl)phenyl]-~{N}-methoxy-~{N}-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ...
著者Talapatra, S.K, Kozielski, F.
登録日2018-09-09
公開日2019-09-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Is the Fate of Clinical Candidate Arry-520 Already Sealed? Predicting Resistance in Eg5-Inhibitor Complexes.
Mol.Cancer Ther., 18, 2019
4BXN
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BU of 4bxn by Molmil
Eg5(WT) complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, CADMIUM ION, CHLORIDE ION, ...
著者Talapatra, S.K, Anthony, N.G, Mackay, S.P, Kozielski, F.
登録日2013-07-15
公開日2013-07-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.793 Å)
主引用文献The Mitotic Kinesin Eg5 Overcomes Inhibition to the Phase I/II Clinical Candidate Sb743921 by an Allosteric Resistance Mechanism.
J.Med.Chem., 56, 2013
6HKX
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BU of 6hkx by Molmil
Eg5-inhibitor complex
分子名称: (2~{S})-2-(3-azanylpropyl)-5-[2,5-bis(fluoranyl)phenyl]-~{N}-methoxy-~{N}-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
著者Talapatra, S.K, Kozielski, F.
登録日2018-09-09
公開日2019-09-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Is the Fate of Clinical Candidate Arry-520 Already Sealed? Predicting Resistance in Eg5-Inhibitor Complexes.
Mol.Cancer Ther., 18, 2019
4A1Z
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Eg5-1
分子名称: ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, MAGNESIUM ION, ...
著者Talapatra, S.K, Kozielski, F.
登録日2011-09-20
公開日2012-10-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Mitotic Kinesin Eg5 Overcomes Inhibition to the Phase I/II Clinical Candidate Sb743921 by an Allosteric Resistance Mechanism.
J.Med.Chem., 56, 2013

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