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4JV7
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BU of 4jv7 by Molmil
Co-crystal structure of MDM2 with inhibitor (2S,5R,6S)-2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one
分子名称: (2S,5R,6S)-2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C.
登録日2013-03-25
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
4JVR
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BU of 4jvr by Molmil
Co-crystal structure of MDM2 with inhibitor (2'S,3R,4'S,5'R)-N-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide
分子名称: (2'S,3R,4'S,5'R)-N-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2
著者Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C.
登録日2013-03-26
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
4JVE
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BU of 4jve by Molmil
Co-crystal structure of MDM2 with inhibitor (2R,3E)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid
分子名称: (2R,3E)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid, E3 ubiquitin-protein ligase Mdm2
著者Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C.
登録日2013-03-25
公開日2013-05-01
最終更新日2013-06-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
4JV9
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BU of 4jv9 by Molmil
Co-crystal structure of MDM2 with inhibitor (2S,5R,6S)-2-benzyl-5,6-bis(4-chlorophenyl)-4-methylmorpholin-3-one
分子名称: (2S,5R,6S)-2-benzyl-5,6-bis(4-chlorophenyl)-4-methylmorpholin-3-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C.
登録日2013-03-25
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
6S02
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BU of 6s02 by Molmil
Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain - ADP bound state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Heat shock protein 70, MAGNESIUM ION
著者Vakonakis, I, Day, J.
登録日2019-06-13
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献ThePlasmodium falciparumHsp70-x chaperone assists the heat stress response of the malaria parasite.
Faseb J., 33, 2019
6RZY
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BU of 6rzy by Molmil
Plasmodium falciparum PFA0660w Hsp40 co-chaperone J-domain
分子名称: Heat shock protein 40, type II
著者Vakonakis, I, Day, J.
登録日2019-06-13
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.379 Å)
主引用文献ThePlasmodium falciparumHsp70-x chaperone assists the heat stress response of the malaria parasite.
Faseb J., 33, 2019
6RZQ
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BU of 6rzq by Molmil
Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain - ANP-PnP bound state
分子名称: GLYCEROL, Heat shock protein 70, MAGNESIUM ION, ...
著者Vakonakis, I, Day, J.
登録日2019-06-13
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献ThePlasmodium falciparumHsp70-x chaperone assists the heat stress response of the malaria parasite.
Faseb J., 33, 2019
4ERF
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BU of 4erf by Molmil
crystal structure of MDM2 (17-111) in complex with compound 29 (AM-8553)
分子名称: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S,3S)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
著者Huang, X.
登録日2012-04-20
公開日2012-05-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
4WT2
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BU of 4wt2 by Molmil
Co-crystal Structure of MDM2 in Complex with AM-7209
分子名称: 4-({[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetyl}amino)-2-methoxybenzoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M.
登録日2014-10-30
公開日2014-12-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Discovery of AM-7209, a Potent and Selective 4-Amidobenzoic Acid Inhibitor of the MDM2-p53 Interaction.
J.Med.Chem., 57, 2014
4OAS
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BU of 4oas by Molmil
co-crystal structure of MDM2 (17-111) in complex with compound 25
分子名称: E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(3R,5R,6S)-1-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid
著者Huang, X.
登録日2014-01-06
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of AMG 232, a Potent, Selective, and Orally Bioavailable MDM2-p53 Inhibitor in Clinical Development.
J.Med.Chem., 57, 2014
4ODE
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BU of 4ode by Molmil
Co-Crystal Structure of MDM2 with Inhibitor Compound 4
分子名称: (2-{[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}-1,3-thiazol-5-yl)acetic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M.
登録日2014-01-10
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
4OGV
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BU of 4ogv by Molmil
Co-Crystal Structure of MDM2 with Inhibitor Compound 49
分子名称: E3 ubiquitin-protein ligase Mdm2, [(2S,5R,6R)-4-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
著者Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M.
登録日2014-01-16
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.197 Å)
主引用文献Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
4OGN
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BU of 4ogn by Molmil
Co-Crystal Structure of MDM2 with Inhbitor Compound 3
分子名称: 6-{[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}pyridine-3-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M.
登録日2014-01-16
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.377 Å)
主引用文献Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
4OGT
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BU of 4ogt by Molmil
Co-Crystal Structure of MDM2 with Inhbitor Compound 46
分子名称: 6-{[(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M.
登録日2014-01-16
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5361 Å)
主引用文献Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
4OBA
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BU of 4oba by Molmil
Co-crystal structure of MDM2 with Inhibitor Compound 4
分子名称: E3 ubiquitin-protein ligase Mdm2, [(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
著者Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M.
登録日2014-01-07
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Selective and Potent Morpholinone Inhibitors of the MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 57, 2014
4OCC
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BU of 4occ by Molmil
co-crystal structure of MDM2(17-111) in complex with compound 48
分子名称: E3 ubiquitin-protein ligase Mdm2, [(2R,5R,6R)-4-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
著者Huang, X.
登録日2014-01-08
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
4ODF
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BU of 4odf by Molmil
Co-Crystal Structure of MDM2 with Inhibitor Compound 47
分子名称: 6-{[(2S,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid, E3 ubiquitin-protein ligase Mdm2
著者Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M.
登録日2014-01-10
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2006 Å)
主引用文献Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
4ERE
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BU of 4ere by Molmil
crystal structure of MDM2 (17-111) in complex with compound 23
分子名称: E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(3R,5R,6S)-1-[(2S)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acid
著者Huang, X.
登録日2012-04-20
公開日2012-05-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
4JLE
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BU of 4jle by Molmil
Structure of the P. falciparum PFI1780w PHIST domain
分子名称: ACETATE ION, CHLORIDE ION, PHIST
著者Slater, L, Vakonakis, I.
登録日2013-03-12
公開日2014-04-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A Plasmodium falciparum PHIST protein binds the virulence factor PfEMP1 and comigrates to knobs on the host cell surface.
Faseb J., 28, 2014
4JWR
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BU of 4jwr by Molmil
Co-crystal structure of MDM2 with inhibitor {(2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]-3-oxomorpholin-2-yl}acetic acid
分子名称: E3 ubiquitin-protein ligase Mdm2, {(2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]-3-oxomorpholin-2-yl}acetic acid
著者Shaffer, P.L.
登録日2013-03-27
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013

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