7MKX
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![BU of 7mkx by Molmil](/molmil-images/mine/7mkx) | Crystal Structure Analysis of human CDK2 and CCNA2 complex | Descriptor: | 2-[(5-bromo-2-{4-[(cyanomethyl)sulfamoyl]anilino}pyrimidin-4-yl)amino]-6-fluorobenzamide, Cyclin-A2, Cyclin-dependent kinase 2 | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2021-04-27 | Release date: | 2022-11-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | Crystal Structure Analysis of human CDK2 and CCNA2 complex To Be Published
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1IC8
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![BU of 1ic8 by Molmil](/molmil-images/mine/1ic8) | HEPATOCYTE NUCLEAR FACTOR 1A BOUND TO DNA : MODY3 GENE PRODUCT | Descriptor: | 5'-D(*CP*TP*TP*GP*GP*TP*TP*AP*AP*TP*AP*AP*TP*TP*CP*AP*CP*CP*AP*GP*A)-3', 5'-D(*TP*CP*TP*GP*GP*TP*GP*AP*AP*TP*TP*AP*TP*TP*AP*AP*CP*CP*AP*AP*G)-3', HEPATOCYTE NUCLEAR FACTOR 1-ALPHA | Authors: | Chi, Y.-I, Frantz, J.D, Oh, B.-C, Hansen, L, Dhe-Paganon, S, Shoelson, S.E. | Deposit date: | 2001-03-30 | Release date: | 2002-11-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Diabetes mutations delineate an
atypical POU domains in HNF1-Alpha Mol.Cell, 10, 2002
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5BNH
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![BU of 5bnh by Molmil](/molmil-images/mine/5bnh) | Crystal structure of the HLTF HIRAN domain with a ssDNA fragment | Descriptor: | ACETATE ION, DNA (5'-D(*(GD)P*GP*TP*G)-3'), DNA (5'-D(*(TD)P*TP*G)-3'), ... | Authors: | Neculai, D, Walker, J.R, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Dhe-Paganon, S. | Deposit date: | 2015-05-26 | Release date: | 2016-05-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Co-crystal structure of the HLTF HIRAN domain with a ssDNA fragment To Be Published
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2ZFY
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![BU of 2zfy by Molmil](/molmil-images/mine/2zfy) | Crystal structure of human Otubain 1 | Descriptor: | Ubiquitin thioesterase OTUB1 | Authors: | Akutsu, M, Walker, J.R, Li, Y, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-01-16 | Release date: | 2008-02-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structural basis and specificity of human otubain 1-mediated deubiquitination. Biochem.J., 418, 2009
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6OSP
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![BU of 6osp by Molmil](/molmil-images/mine/6osp) | Crystal Structure Analysis of PIP4K2A | Descriptor: | 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 | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2019-05-01 | Release date: | 2020-04-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Targeting the PI5P4K Lipid Kinase Family in Cancer Using Covalent Inhibitors. Cell Chem Biol, 27, 2020
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6P38
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![BU of 6p38 by Molmil](/molmil-images/mine/6p38) | Crystal Structure Analysis of TAF1 Bromodomain | Descriptor: | 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 | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2019-05-23 | Release date: | 2020-05-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Dual Inhibition of TAF1 and BET Bromodomains from the BI-2536 Kinase Inhibitor Scaffold. Acs Med.Chem.Lett., 10, 2019
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5VSB
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![BU of 5vsb by Molmil](/molmil-images/mine/5vsb) | Structure of DUB complex | Descriptor: | 7-chloro-3-{[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl}quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7 | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2017-05-11 | Release date: | 2017-12-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7. Cell Chem Biol, 24, 2017
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5VS6
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![BU of 5vs6 by Molmil](/molmil-images/mine/5vs6) | Structure of DUB complex | Descriptor: | 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, ... | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2017-05-11 | Release date: | 2017-12-20 | Last modified: | 2018-01-03 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7. Cell Chem Biol, 24, 2017
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6O34
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![BU of 6o34 by Molmil](/molmil-images/mine/6o34) | Crystal Structure Analysis of PIN1 | Descriptor: | GLYCEROL, NONAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2019-02-25 | Release date: | 2020-02-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Crystal Structure Analysis of PIN1 To be Published
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6O33
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![BU of 6o33 by Molmil](/molmil-images/mine/6o33) | Crystal Structure Analysis of PIN1 | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, peptide | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2019-02-25 | Release date: | 2020-02-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal Structure Analysis of PIN1 To be Published
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5VSK
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![BU of 5vsk by Molmil](/molmil-images/mine/5vsk) | Structure of DUB complex | Descriptor: | 7-chloro-3-({4-hydroxy-1-[(3S)-3-phenylbutanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION | Authors: | Seo, H.-Y, Dhe-Paganon, S. | Deposit date: | 2017-05-11 | Release date: | 2017-12-20 | Last modified: | 2018-01-03 | Method: | X-RAY DIFFRACTION (3.33 Å) | Cite: | Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7. Cell Chem Biol, 24, 2017
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5WHH
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![BU of 5whh by Molmil](/molmil-images/mine/5whh) | |
6P3A
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![BU of 6p3a by Molmil](/molmil-images/mine/6p3a) | Crystal Structure Analysis of TAF1 Bromodomain | Descriptor: | 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 | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2019-05-23 | Release date: | 2020-05-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Crystal Structure Analysis of TAF1 Bromodomain To Be Published
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6P39
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![BU of 6p39 by Molmil](/molmil-images/mine/6p39) | Crystal Structure Analysis of TAF1 Bromodomain | Descriptor: | 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 | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2019-05-23 | Release date: | 2020-05-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.941 Å) | Cite: | Crystal Structure Analysis of TAF1 Bromodomain To Be Published
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5WHI
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![BU of 5whi by Molmil](/molmil-images/mine/5whi) | Crystal Structure of Bcl-2-related protein A1 | Descriptor: | Bcl-2-related protein A1, CACODYLIC ACID | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2017-07-17 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Crystal Structures of Anti-apoptotic BFL-1 and Its Complex with a Covalent Stapled Peptide Inhibitor. Structure, 26, 2018
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7SZC
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![BU of 7szc by Molmil](/molmil-images/mine/7szc) | |
7SZD
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![BU of 7szd by Molmil](/molmil-images/mine/7szd) | |
7SZB
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![BU of 7szb by Molmil](/molmil-images/mine/7szb) | |
7SZA
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![BU of 7sza by Molmil](/molmil-images/mine/7sza) | |
7TUO
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![BU of 7tuo by Molmil](/molmil-images/mine/7tuo) | Crystal structure analysis of human USP28 complex with a compound | Descriptor: | 7-amino-N-(2-{4-[(1R,3s,5S)-8-azabicyclo[3.2.1]octan-3-yl]phenyl}ethyl)-3-methylthieno[2,3-b]pyrazine-6-carboxamide, CHLORIDE ION, Ubiquitin carboxyl-terminal hydrolase 28 | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2022-02-03 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystal Structure Analysis of human USP28 complex with a compound To Be Published
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7TUN
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![BU of 7tun by Molmil](/molmil-images/mine/7tun) | |
7U5W
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![BU of 7u5w by Molmil](/molmil-images/mine/7u5w) | |
7U5X
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![BU of 7u5x by Molmil](/molmil-images/mine/7u5x) | |
7UK2
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![BU of 7uk2 by Molmil](/molmil-images/mine/7uk2) | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with NN-390 | Descriptor: | Hdac6 protein, N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide, POTASSIUM ION, ... | Authors: | Erdogan, F, Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2022-03-31 | Release date: | 2022-11-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High Efficacy and Drug Synergy of HDAC6-Selective Inhibitor NN-429 in Natural Killer (NK)/T-Cell Lymphoma. Pharmaceuticals, 15, 2022
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6VAJ
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![BU of 6vaj by Molmil](/molmil-images/mine/6vaj) | Crystal Structure Analysis of human PIN1 | Descriptor: | 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, ... | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2019-12-17 | Release date: | 2020-12-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Sulfopin is a covalent inhibitor of Pin1 that blocks Myc-driven tumors in vivo. Nat.Chem.Biol., 17, 2021
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