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4PYZ
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BU of 4pyz by Molmil
Crystal structure of the first two Ubl domains of Deubiquitylase USP7
分子名称: UNKNOWN ATOM OR ION, Ubiquitin carboxyl-terminal hydrolase 7
著者Walker, J.R, Dong, A, Ong, M.S, Dhe-Paganon, S, Kania, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
登録日2014-03-28
公開日2014-04-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Crystal structure of the first two Ubl domains of Deubiquitylase USP7
to be published
7KMR
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BU of 7kmr by Molmil
Crystal structure analysis of human KRAS mutant
分子名称: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas
著者Seo, H.-S, Dhe-Paganon, S.
登録日2020-11-03
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Regulation of GTPase function by autophosphorylation.
Mol.Cell, 82, 2022
7LI5
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BU of 7li5 by Molmil
Crystal Structure Analysis of human TEAD1
分子名称: 1-[(3R,4R)-3-[4-(pyridin-3-yl)-1H-1,2,3-triazol-1-yl]-4-{[4-(trifluoromethyl)phenyl]methoxy}pyrrolidin-1-yl]prop-2-en-1-one, SULFATE ION, Transcriptional enhancer factor TEF-1
著者Seo, H.-S, Dhe-Paganon, S.
登録日2021-01-26
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Crystal Structure Analysis of human TEAD1
To Be Published
7MKX
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BU of 7mkx by Molmil
Crystal Structure Analysis of human CDK2 and CCNA2 complex
分子名称: 2-[(5-bromo-2-{4-[(cyanomethyl)sulfamoyl]anilino}pyrimidin-4-yl)amino]-6-fluorobenzamide, Cyclin-A2, Cyclin-dependent kinase 2
著者Seo, H.-S, Dhe-Paganon, S.
登録日2021-04-27
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献Crystal Structure Analysis of human CDK2 and CCNA2 complex
To Be Published
3N3K
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BU of 3n3k by Molmil
The catalytic domain of USP8 in complex with a USP8 specific inhibitor
分子名称: Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 8, ZINC ION
著者Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Allali-Hassani, A, Lam, R, Ernst, A, Sidhu, S, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2010-05-20
公開日2010-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
6VAJ
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BU of 6vaj by Molmil
Crystal Structure Analysis of human PIN1
分子名称: 2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, ...
著者Seo, H.-S, Dhe-Paganon, S.
登録日2019-12-17
公開日2020-12-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Sulfopin is a covalent inhibitor of Pin1 that blocks Myc-driven tumors in vivo.
Nat.Chem.Biol., 17, 2021
6O34
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BU of 6o34 by Molmil
Crystal Structure Analysis of PIN1
分子名称: GLYCEROL, NONAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
著者Seo, H.-S, Dhe-Paganon, S.
登録日2019-02-25
公開日2020-02-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Crystal Structure Analysis of PIN1
To be Published
6O33
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BU of 6o33 by Molmil
Crystal Structure Analysis of PIN1
分子名称: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, peptide
著者Seo, H.-S, Dhe-Paganon, S.
登録日2019-02-25
公開日2020-02-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal Structure Analysis of PIN1
To be Published
6P3A
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BU of 6p3a by Molmil
Crystal Structure Analysis of TAF1 Bromodomain
分子名称: 4-{[(3R)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Transcription initiation factor TFIID subunit 1
著者Seo, H.-S, Dhe-Paganon, S.
登録日2019-05-23
公開日2020-05-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Crystal Structure Analysis of TAF1 Bromodomain
To Be Published
6P39
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BU of 6p39 by Molmil
Crystal Structure Analysis of TAF1 Bromodomain
分子名称: 3-methoxy-4-{[(6aR)-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-2-yl]amino}-N-(1-methylpiperidin-4-yl)benzamide, Transcription initiation factor TFIID subunit 1
著者Seo, H.-S, Dhe-Paganon, S.
登録日2019-05-23
公開日2020-05-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.941 Å)
主引用文献Crystal Structure Analysis of TAF1 Bromodomain
To Be Published
6OSP
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BU of 6osp by Molmil
Crystal Structure Analysis of PIP4K2A
分子名称: 4-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}-N-(3-{[6-(1H-indol-3-yl)pyrimidin-4-yl]amino}phenyl)benzamide, GLYCEROL, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
著者Seo, H.-S, Dhe-Paganon, S.
登録日2019-05-01
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Targeting the PI5P4K Lipid Kinase Family in Cancer Using Covalent Inhibitors.
Cell Chem Biol, 27, 2020
6P38
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BU of 6p38 by Molmil
Crystal Structure Analysis of TAF1 Bromodomain
分子名称: 4-{[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-N-(1-methylpiperidin-4-yl)-3-[(propan-2-yl)oxy]benzamide, Transcription initiation factor TFIID subunit 1
著者Seo, H.-S, Dhe-Paganon, S.
登録日2019-05-23
公開日2020-05-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Dual Inhibition of TAF1 and BET Bromodomains from the BI-2536 Kinase Inhibitor Scaffold.
Acs Med.Chem.Lett., 10, 2019
5VSB
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BU of 5vsb by Molmil
Structure of DUB complex
分子名称: 7-chloro-3-{[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl}quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7
著者Seo, H.-S, Dhe-Paganon, S.
登録日2017-05-11
公開日2017-12-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
5VS6
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BU of 5vs6 by Molmil
Structure of DUB complex
分子名称: ACETATE ION, GLYCEROL, N-[3-({4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl}methyl)-4-oxo-3,4-dihydroquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide, ...
著者Seo, H.-S, Dhe-Paganon, S.
登録日2017-05-11
公開日2017-12-20
最終更新日2018-01-03
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
5VSK
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BU of 5vsk by Molmil
Structure of DUB complex
分子名称: 7-chloro-3-({4-hydroxy-1-[(3S)-3-phenylbutanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION
著者Seo, H.-Y, Dhe-Paganon, S.
登録日2017-05-11
公開日2017-12-20
最終更新日2018-01-03
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
5WHH
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BU of 5whh by Molmil
Crystal Structure of Bcl-2-related protein A1 in complex with stapled peptide (AQ7)T(0EH)LRRFGD(MK8)INFRQ(NH2)
分子名称: (AQ7)T(0EH)LRRFGD(MK8)INFRQ(NH2), Bcl-2-related protein A1, CHLORIDE ION
著者Seo, H.-S, Dhe-Paganon, S.
登録日2017-07-17
公開日2018-01-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Crystal Structures of Anti-apoptotic BFL-1 and Its Complex with a Covalent Stapled Peptide Inhibitor.
Structure, 26, 2018
5WHI
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BU of 5whi by Molmil
Crystal Structure of Bcl-2-related protein A1
分子名称: Bcl-2-related protein A1, CACODYLIC ACID
著者Seo, H.-S, Dhe-Paganon, S.
登録日2017-07-17
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Crystal Structures of Anti-apoptotic BFL-1 and Its Complex with a Covalent Stapled Peptide Inhibitor.
Structure, 26, 2018
7UK2
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BU of 7uk2 by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with NN-390
分子名称: Hdac6 protein, N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide, POTASSIUM ION, ...
著者Erdogan, F, Seo, H.-S, Dhe-Paganon, S.
登録日2022-03-31
公開日2022-11-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献High Efficacy and Drug Synergy of HDAC6-Selective Inhibitor NN-429 in Natural Killer (NK)/T-Cell Lymphoma.
Pharmaceuticals, 15, 2022
5TX3
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BU of 5tx3 by Molmil
Structure of Maternal Embryonic Leucine Zipper Kinase
分子名称: 7-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-2-({3-[(pyrrolidin-1-yl)methyl]phenyl}amino)-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one, Maternal embryonic leucine zipper kinase
著者Li, Q, Seo, H.-S, Huang, H.-T, Gray, N.S, Dhe-Paganon, S, Eck, M.J.
登録日2016-11-15
公開日2017-11-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
5TWY
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BU of 5twy by Molmil
Structure of Maternal Embryonic Leucine Zipper Kinase
分子名称: 2-(benzyloxy)-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide, Maternal embryonic leucine zipper kinase
著者Seo, H.-S, Dhe-Paganon, S.
登録日2016-11-15
公開日2017-11-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
5TWU
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BU of 5twu by Molmil
Structure of Maternal Embryonic Leucine Zipper Kinase
分子名称: Maternal embryonic leucine zipper kinase
著者Li, Q, Seo, H.-S, Huang, H.-T, Gray, N.S, Dhe-Paganon, S, Eck, M.J.
登録日2016-11-14
公開日2017-11-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.603 Å)
主引用文献MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
5TWL
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BU of 5twl by Molmil
Structure of Maternal Embryonic Leucine Zipper Kinase
分子名称: 9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3,4-dihydropyrimido[5,4-c]quinolin-2(1H)-one, Maternal embryonic leucine zipper kinase
著者Seo, H.-S, Huang, H.-T, Gray, N.S, Dhe-Paganon, S.
登録日2016-11-14
公開日2017-11-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
5TWZ
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BU of 5twz by Molmil
Structure of Maternal Embryonic Leucine Zipper Kinase
分子名称: 7-{[2-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1H-3-benzazepinium, Maternal embryonic leucine zipper kinase
著者Seo, H.-Y, Dhe-Paganon, S.
登録日2016-11-15
公開日2017-11-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.631 Å)
主引用文献MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
5TWX
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BU of 5twx by Molmil
Crystal Structure of BRD9 bromodomain
分子名称: Bromodomain-containing protein 9, N-[6-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)hexyl]-2-(4-{2-[N-(1,1-dioxo-1lambda~6~-thian-4-yl)carbamimidoyl]-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]pyridin-7-yl}-2-methoxyphenoxy)acetamide
著者Seo, H.-S, Dhe-Paganon, S.
登録日2016-11-15
公開日2017-09-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Degradation of the BAF Complex Factor BRD9 by Heterobifunctional Ligands.
Angew. Chem. Int. Ed. Engl., 56, 2017
6VO4
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BU of 6vo4 by Molmil
Crystal Structure Analysis of BFL1
分子名称: Bcl-2-related protein A1
著者Seo, H.-S, Dhe-Paganon, S.
登録日2020-01-29
公開日2020-06-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Identification of a Covalent Molecular Inhibitor of Anti-apoptotic BFL-1 by Disulfide Tethering.
Cell Chem Biol, 27, 2020

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