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8RVL
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BU of 8rvl by Molmil
Proteasomal late precursor complex from pre1-1
分子名称: Probable proteasome subunit alpha type-7, Proteasome assembly chaperone 2, Proteasome chaperone 1, ...
著者Mark, E, Ramos, P.C, Kayser, F, Hoeckendorff, J, Dohmen, R.J, Wendler, P.
登録日2024-02-01
公開日2024-09-11
実験手法ELECTRON MICROSCOPY (2.14 Å)
主引用文献Structural roles of Ump1 and beta-subunit propeptides in proteasome biogenesis
To Be Published, 2024
8RVO
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BU of 8rvo by Molmil
Proteasomal late precursor complex from pre1-1, state 1
分子名称: Probable proteasome subunit alpha type-7, Proteasome assembly chaperone 2, Proteasome chaperone 1, ...
著者Mark, E, Ramos, P.C, Kayser, F, Hoeckendorff, J, Dohmen, R.J, Wendler, P.
登録日2024-02-01
公開日2024-09-11
実験手法ELECTRON MICROSCOPY (2.69 Å)
主引用文献Structural roles of Ump1 and beta-subunit propeptides in proteasome biogenesis
To Be Published, 2024
8RVP
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BU of 8rvp by Molmil
Proteasomal late precursor complex from pre1-1, state 2
分子名称: Probable proteasome subunit alpha type-7, Proteasome assembly chaperone 2, Proteasome chaperone 1, ...
著者Mark, E, Ramos, P.C, Kayser, F, Hoeckendorff, J, Dohmen, R.J, Wendler, P.
登録日2024-02-01
公開日2024-09-11
実験手法ELECTRON MICROSCOPY (2.28 Å)
主引用文献Structural roles of Ump1 and beta-subunit propeptides in proteasome biogenesis
To Be Published, 2024
8RVQ
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BU of 8rvq by Molmil
20S proteasome from pre1-1
分子名称: Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ...
著者Mark, E, Ramos, P.C, Kayser, F, Hoeckendorff, J, Dohmen, R.J, Wendler, P.
登録日2024-02-01
公開日2024-09-11
実験手法ELECTRON MICROSCOPY (2.02 Å)
主引用文献Structural roles of Ump1 and beta-subunit propeptides in proteasome biogenesis
To Be Published, 2024
9GBK
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BU of 9gbk by Molmil
Blm10-20S proteasome complex from pre1-1
分子名称: Probable proteasome subunit alpha type-7, Proteasome activator BLM10, Proteasome subunit alpha type-1, ...
著者Mark, E, Ramos, P.C, Kayser, F, Hoeckendorff, J, Dohmen, R.J, Wendler, P.
登録日2024-07-31
公開日2024-09-11
実験手法ELECTRON MICROSCOPY (2.39 Å)
主引用文献Structural roles of Ump1 and beta-subunit propeptides in proteasome biogenesis
To Be Published, 2024
3EQP
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BU of 3eqp by Molmil
Crystal Structure of Ack1 with compound T95
分子名称: Activated CDC42 kinase 1, CHLORIDE ION, N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-2-({4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}amino)pyrimidine-5-carboxamide
著者Liu, J, Wang, Z, Walker, N.P.C.
登録日2008-10-01
公開日2008-12-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification and optimization of N3,N6-diaryl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamines as a novel class of ACK1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3EQR
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BU of 3eqr by Molmil
Crystal Structure of Ack1 with compound T74
分子名称: Activated CDC42 kinase 1, CHLORIDE ION, N~3~-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-N~6~-(4-piperazin-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
著者Liu, J, Wang, Z, Walker, N.P.C.
登録日2008-10-01
公開日2008-12-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification and optimization of N3,N6-diaryl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamines as a novel class of ACK1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
4QOC
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BU of 4qoc by Molmil
crystal structure of compound 16 bound to MDM2(17-111), {(3R,5R,6S)-5-(3-CHLOROPHENYL)-6-(4-CHLOROPHENYL)-1-[(1S)-1-CYCLOPROPYL-2-(PYRROLIDIN-1-YLSULFONYL)ETHYL]-3-METHYL-2-OXOPIPERIDIN-3-YL}ACETIC ACID
分子名称: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-cyclopropyl-2-(pyrrolidin-1-ylsulfonyl)ethyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
著者Huang, X.
登録日2014-06-19
公開日2015-05-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Optimization beyond AMG 232: discovery and SAR of sulfonamides on a piperidinone scaffold as potent inhibitors of the MDM2-p53 protein-protein interaction.
Bioorg.Med.Chem.Lett., 24, 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
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
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
4O9S
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BU of 4o9s by Molmil
Crystal structure of Retinol-Binding Protein 4 (RBP4)in complex with a non-retinoid ligand
分子名称: 1,2-ETHANEDIOL, 1-[4-(7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone, CHLORIDE ION, ...
著者Wang, Z, Johnstone, S, Walker, N.P.
登録日2014-01-02
公開日2014-07-02
最終更新日2020-02-19
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-assisted discovery of the first non-retinoid ligands for Retinol-Binding Protein 4.
Bioorg.Med.Chem.Lett., 24, 2014
4PSQ
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BU of 4psq by Molmil
Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with a non-retinoid ligand
分子名称: (1-benzyl-1H-imidazol-4-yl)[4-(2-chlorophenyl)piperazin-1-yl]methanone, 1,2-ETHANEDIOL, PHOSPHATE ION, ...
著者Wang, Z, Johnstone, S, Walker, N.
登録日2014-03-07
公開日2014-07-02
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-assisted discovery of the first non-retinoid ligands for Retinol-Binding Protein 4.
Bioorg.Med.Chem.Lett., 24, 2014
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
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
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
3QKV
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BU of 3qkv by Molmil
Crystal structure of fatty acid amide hydrolase with small molecule compound
分子名称: (6-bromo-1'H,4H-spiro[1,3-benzodioxine-2,4'-piperidin]-1'-yl)methanol, Fatty-acid amide hydrolase 1
著者Min, X, Walker, N.P.C, Wang, Z.
登録日2011-02-01
公開日2011-04-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Discovery and molecular basis of potent noncovalent inhibitors of fatty acid amide hydrolase (FAAH).
Proc.Natl.Acad.Sci.USA, 108, 2011
3QJ9
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BU of 3qj9 by Molmil
Crystal structure of fatty acid amide hydrolase with small molecule inhibitor
分子名称: 1,2-ETHANEDIOL, 1-{(3S)-1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl}-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one, Fatty-acid amide hydrolase 1, ...
著者Min, X, Walker, N.P.C, Wang, Z.
登録日2011-01-28
公開日2011-04-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery and molecular basis of potent noncovalent inhibitors of fatty acid amide hydrolase (FAAH).
Proc.Natl.Acad.Sci.USA, 108, 2011
3QJ8
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BU of 3qj8 by Molmil
Crystal structure of fatty acid amide hydrolase
分子名称: Fatty-acid amide hydrolase 1
著者Min, X, Walker, N.P.C, Wang, Z.
登録日2011-01-28
公開日2011-04-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery and molecular basis of potent noncovalent inhibitors of fatty acid amide hydrolase (FAAH).
Proc.Natl.Acad.Sci.USA, 108, 2011
3QK5
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BU of 3qk5 by Molmil
Crystal structure of fatty acid amide hydrolase with small molecule inhibitor
分子名称: (3-{(3R)-1-[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]piperidin-3-yl}-2-methyl-1H-pyrrolo[2,3-b]pyridin-1-yl)acetonitrile, 1,2-ETHANEDIOL, Fatty-acid amide hydrolase 1, ...
著者Min, X, Walker, N.P.C, Wang, Z.
登録日2011-01-31
公開日2011-04-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification of potent, noncovalent fatty acid amide hydrolase (FAAH) inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
6M92
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BU of 6m92 by Molmil
Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-2663 ternary complex
分子名称: 3-{[2-oxo-4-phenoxy-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid, Catenin beta-1, F-box/WD repeat-containing protein 1A, ...
著者Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J, Lee, S.J.
登録日2018-08-22
公開日2019-04-03
最終更新日2020-01-15
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction.
Nat Commun, 10, 2019
6M90
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BU of 6m90 by Molmil
Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-2776 ternary complex
分子名称: 2-(2-fluorophenoxy)-3-{[2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid, Catenin beta-1, F-box/WD repeat-containing protein 1A, ...
著者Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J.
登録日2018-08-22
公開日2019-04-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction.
Nat Commun, 10, 2019
6M93
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BU of 6m93 by Molmil
Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-1933 ternary complex
分子名称: 2-oxo-N-[3-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide, Catenin beta-1, F-box/WD repeat-containing protein 1A, ...
著者Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Lee, S.J.
登録日2018-08-22
公開日2019-04-03
最終更新日2019-04-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction.
Nat Commun, 10, 2019

 

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