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5XJD
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BU of 5xjd by Molmil
TEAD in complex with fragment
Descriptor: (2S)-2-phenyl-2-pyrrol-1-yl-ethanoic acid, Transcriptional enhancer factor TEF-3
Authors:Kaan, H.Y.K, Sim, A.Y.L, Tan, S.K.J, Verma, C, Song, H.
Deposit date:2017-05-01
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Targeting YAP/TAZ-TEAD protein-protein interactions using fragment-based and computational modeling approaches.
PLoS ONE, 12, 2017
5GN0
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BU of 5gn0 by Molmil
Structure of TAZ-TEAD complex
Descriptor: CITRIC ACID, PALMITIC ACID, Transcriptional enhancer factor TEF-3, ...
Authors:Kaan, H.Y.K, Song, H.
Deposit date:2016-07-18
Release date:2017-05-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of TAZ-TEAD complex reveals a distinct interaction mode from that of YAP-TEAD complex
Sci Rep, 7, 2017
4A5Y
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BU of 4a5y by Molmil
Intermediate state of human kinesin Eg5 in complex with Ispinesib
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ISPINESIB MESILATE, ...
Authors:Kaan, H.Y.K, Kozielski, F.
Deposit date:2011-10-29
Release date:2012-11-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:"Snapshots" of Ispinesib-Induced Conformational Changes in the Mitotic Kinesin Eg5.
J.Biol.Chem., 288, 2013
2X7D
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BU of 2x7d by Molmil
Crystal structure of human kinesin Eg5 in complex with (S)-dimethylenastron
Descriptor: (4S)-4-(3-HYDROXYPHENYL)-7,7-DIMETHYL-2-THIOXO-2,3,4,6,7,8-HEXAHYDROQUINAZOLIN-5(1H)-ONE, ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, ...
Authors:Kaan, H.Y.K, Ulaganathan, V, Rath, O, Laggner, C, Prokopcova, H, Dallinger, D, Kappe, C.O, Kozielski, F.
Deposit date:2010-02-26
Release date:2010-07-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for Inhibition of Eg5 by Dihydropyrimidines: Stereoselectivity of Antimitotic Inhibitors Enastron, Dimethylenastron and Fluorastrol.
J.Med.Chem., 53, 2010
2WOG
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BU of 2wog by Molmil
Intermediate and final states of human kinesin Eg5 in complex with S-trityl-L-cysteine
Descriptor: ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, MAGNESIUM ION, ...
Authors:Kaan, H.Y.K, Ulaganathan, V, Hackney, D.D, Kozielski, F.
Deposit date:2009-07-23
Release date:2010-08-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:An Allosteric Transition Trapped in an Intermediate State of a New Kinesin-Inhibitor Complex.
Biochem.J., 425, 2010
2X7C
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BU of 2x7c by Molmil
Crystal structure of human kinesin Eg5 in complex with (S)-enastron
Descriptor: (S)-4-(3-HYDROXYPHENYL)-2-THIOXO-1,2,3,4,7,8-HEXAHYDROQUINAZOLIN-5(6H)-ONE, ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, ...
Authors:Kaan, H.Y.K, Ulaganathan, V, Rath, O, Laggner, C, Prokopcova, H, Dallinger, D, Kappe, C.O, Kozielski, F.
Deposit date:2010-02-26
Release date:2010-07-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis for Inhibition of Eg5 by Dihydropyrimidines: Stereoselectivity of Antimitotic Inhibitors Enastron, Dimethylenastron and Fluorastrol.
J.Med.Chem., 53, 2010
2X2R
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BU of 2x2r by Molmil
Crystal structure of human kinesin Eg5 in complex with (R)-2-amino-3-((4-chlorophenyl)diphenylmethylthio)propanoic acid
Descriptor: (2R)-2-AMINO-3-[(2R)-2-METHYL-1,1-DIPHENYL-BUTYL]SULFANYL-PROPANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, ...
Authors:Kaan, H.Y.K, Weiss, J, Menger, D, Ulaganathan, V, Laggner, C, Popowycz, F, Joseph, B, Kozielski, F.
Deposit date:2010-01-15
Release date:2011-01-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Activity Relationship and Multidrug Resistance Study of New S-Trityl-L-Cysteine Derivatives as Inhibitors of Eg5.
J.Med.Chem., 54, 2011
2X7E
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BU of 2x7e by Molmil
Crystal structure of human kinesin Eg5 in complex with (R)-fluorastrol
Descriptor: (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, ...
Authors:Kaan, H.Y.K, Ulaganathan, V, Rath, O, Laggner, C, Prokopcova, H, Dallinger, D, Kappe, C.O, Kozielski, F.
Deposit date:2010-02-26
Release date:2010-07-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis for Inhibition of Eg5 by Dihydropyrimidines: Stereoselectivity of Antimitotic Inhibitors Enastron, Dimethylenastron and Fluorastrol.
J.Med.Chem., 53, 2010
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
Descriptor: (2R)-2-AMINO-3-[(4-CHLOROPHENYL)-DIPHENYL-METHYL]SULFANYL-PROPANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Kaan, H.Y.K, Weiss, J, Menger, D, Ulaganathan, V, Tkocz, K, Laggner, C, Popowycz, F, Joseph, B, Kozielski, F.
Deposit date:2010-03-31
Release date:2011-03-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Activity Relationship and Multidrug Resistance Study of New S-Trityl-L-Cysteine Derivatives as Inhibitors of Eg5.
J.Med.Chem., 54, 2011
2Y5W
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BU of 2y5w by Molmil
Crystal structure of Drosophila melanogaster kinesin-1 motor domain dimer
Descriptor: ADENOSINE-5'-DIPHOSPHATE, KINESIN HEAVY CHAIN, MAGNESIUM ION
Authors:Kaan, H.Y.K, Hackney, D.D, Kozielski, F.
Deposit date:2011-01-18
Release date:2011-08-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Structure of the Kinesin-1 Motor-Tail Complex Reveals the Mechanism of Autoinhibition.
Science, 333, 2011
2Y65
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BU of 2y65 by Molmil
Crystal structure of Drosophila melanogaster kinesin-1 motor domain dimer-tail complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, KINESIN HEAVY CHAIN, MAGNESIUM ION
Authors:Kaan, H.Y.K, Hackney, D.D, Kozielski, F.
Deposit date:2011-01-19
Release date:2011-08-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structure of the Kinesin-1 Motor-Tail Complex Reveals the Mechanism of Autoinhibition.
Science, 333, 2011
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
Descriptor: 1-(3-{[(2-aminoethyl)sulfanyl](diphenyl)methyl}phenyl)ethanone, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Kaan, H.Y.K, Kozielski, F.
Deposit date:2011-10-24
Release date:2012-10-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite: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
Descriptor: (2R)-2-AMINO-5-(3-METHYLPHENYL)-5,5-DIPHENYLPROPANOIC ACID, (2S)-2-AMINO-5-(3-METHYLPHENYL)-5,5-DIPHENYLPROPANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Kaan, H.Y.K, Kozielski, F.
Deposit date:2011-10-24
Release date:2012-10-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite: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
Descriptor: 3-[(R)-2-azanylethylsulfanyl-(3-ethylphenyl)-phenyl-methyl]phenol, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Kaan, H.Y.K, Kozielski, F.
Deposit date:2012-09-22
Release date:2013-05-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite: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
7ROV
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BU of 7rov by Molmil
KRAS G12D Mutant in complex with GMPPCP and cyclic peptide MP-9903
Descriptor: Cyclic peptide MP-9903, GLYCEROL, Isoform 2B of GTPase KRas, ...
Authors:Orth, P.
Deposit date:2021-08-02
Release date:2021-09-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Discovery of cell active macrocyclic peptides with on-target inhibition of KRAS signaling.
Chem Sci, 12, 2021
6KZU
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BU of 6kzu by Molmil
Macrocyclization of an all-D linear peptide improves target affinity and imparts cellular activity: A novel stapled alpha-helical peptide modality
Descriptor: 2JN-DAL-E03-DTY-2JN-DSG-TDF-DGL-MK8-DLE-DLE-2JN, E3 ubiquitin-protein ligase Mdm2
Authors:Jiang, S, Brown, C.J.
Deposit date:2019-09-25
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Macrocyclization of an all-d linear alpha-helical peptide imparts cellular permeability.
Chem Sci, 11, 2020
3DYU
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BU of 3dyu by Molmil
Crystal structure of Snx9PX-BAR (230-595), H32
Descriptor: Sorting nexin-9
Authors:Wang, Q, Kaan, H.Y.K, Sondermann, H.
Deposit date:2008-07-28
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Structure and plasticity of endophilin and sorting nexin 9.
Structure, 16, 2008
3DYT
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BU of 3dyt by Molmil
Crystal structure of Snx9PX-BAR (230-595), C2221
Descriptor: SULFATE ION, Sorting nexin-9
Authors:Wang, Q, Kaan, H.Y.K, Sondermann, H.
Deposit date:2008-07-28
Release date:2008-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structure and plasticity of endophilin and sorting nexin 9.
Structure, 16, 2008

217705

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