7S7G
 
 | | Crystal Structure Analysis of Human VLCAD | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Very long-chain specific acyl-CoA dehydrogenase, mitochondrial | | Authors: | Seo, H.-S, Dhe-Paganon, S. | | Deposit date: | 2021-09-15 | | Release date: | 2022-09-28 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Structural basis for defective membrane targeting of mutant enzyme in human VLCAD deficiency.
Nat Commun, 13, 2022
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6VQM
 | | Crystal Structure Analysis of human ACK1 | | Descriptor: | 2-({4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl}amino)-9-methyl-5,7-dihydro-6H-pyrimido[5,4-d][1,3]benzodiazepin-6-one, Activated CDC42 kinase 1, SULFATE ION | | Authors: | Seo, H.-S, Dhe-Paganon, S. | | Deposit date: | 2020-02-05 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Crystal Structure Analysis of human ACK1
To Be Published
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6XAW
 | | Crystal Structure Analysis of SIN3-UME6 | | Descriptor: | BROMIDE ION, Transcriptional regulatory protein SIN3, Transcriptional regulatory protein UME6 | | Authors: | Seo, H.-S, Dhe-Paganon, S. | | Deposit date: | 2020-06-04 | | Release date: | 2021-06-09 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Crystal Structure Analysis of SIN3-UME6
To be published
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6XDJ
 | | Crystal Structure Analysis of MBP-SIN3 | | Descriptor: | Maltodextrin-binding protein,Transcriptional regulatory protein SIN3, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Seo, H.-S, Dhe-Paganon, S. | | Deposit date: | 2020-06-10 | | Release date: | 2021-06-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure Analysis of MBP-SIN3
To be published
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6DUN
 | | Crystal Structure Analysis of PIN1 | | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, TRIHYDROXYARSENITE(III) | | Authors: | Seo, H.-S, Dhe-Paganon, S. | | Deposit date: | 2018-06-21 | | Release date: | 2019-03-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Arsenic targets Pin1 and cooperates with retinoic acid to inhibit cancer-driving pathways and tumor-initiating cells.
Nat Commun, 9, 2018
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7KMR
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7LI5
 | | Crystal Structure Analysis of human TEAD1 | | Descriptor: | 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 | | Authors: | Seo, H.-S, Dhe-Paganon, S. | | Deposit date: | 2021-01-26 | | Release date: | 2022-02-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Crystal Structure Analysis of human TEAD1
To Be Published
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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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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
 | | 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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5TWY
 | | Structure of Maternal Embryonic Leucine Zipper Kinase | | Descriptor: | 2-(benzyloxy)-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide, Maternal embryonic leucine zipper kinase | | Authors: | Seo, H.-S, Dhe-Paganon, S. | | Deposit date: | 2016-11-15 | | Release date: | 2017-11-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
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5TWL
 | | Structure of Maternal Embryonic Leucine Zipper Kinase | | Descriptor: | 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 | | Authors: | Seo, H.-S, Huang, H.-T, Gray, N.S, Dhe-Paganon, S. | | Deposit date: | 2016-11-14 | | Release date: | 2017-11-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
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5TWX
 | | Crystal Structure of BRD9 bromodomain | | Descriptor: | 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 | | Authors: | Seo, H.-S, Dhe-Paganon, S. | | Deposit date: | 2016-11-15 | | Release date: | 2017-09-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Degradation of the BAF Complex Factor BRD9 by Heterobifunctional Ligands.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5JWM
 | | Bivalent BET Bromodomain Inhibition | | Descriptor: | 2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]-~{N}-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamide, Bromodomain-containing protein 4 | | Authors: | Seo, H.-S, Dhe-Paganon, S. | | Deposit date: | 2016-05-12 | | Release date: | 2016-07-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Design and characterization of bivalent BET inhibitors.
Nat.Chem.Biol., 12, 2016
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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
 | | 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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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
 | | 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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6UX9
 | | Crystal Structure Analysis of PIP4K2A | | Descriptor: | N-[4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | | Authors: | Seo, H.-S, Dhe-Paganon, S. | | Deposit date: | 2019-11-07 | | Release date: | 2020-12-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Discovery and Structure-Activity Relationship Study of ( Z )-5-Methylenethiazolidin-4-one Derivatives as Potent and Selective Pan-phosphatidylinositol 5-Phosphate 4-Kinase Inhibitors.
J.Med.Chem., 63, 2020
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6V4G
 | | Crystal Structure Analysis of Zebra fish MDMX | | Descriptor: | Protein Mdm4, SULFATE ION, Stapled peptide QSQQTF(0EH)NLWRLE(MK8)QN(NH2) | | Authors: | Seo, H.-S, Dhe-Paganon, S. | | Deposit date: | 2019-11-27 | | Release date: | 2020-04-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Identification of a Structural Determinant for Selective Targeting of HDMX.
Structure, 28, 2020
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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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6V4H
 | | Crystal Structure Analysis of Zebra Fish MDMX | | Descriptor: | Protein Mdm4, Stapled Peptide LSQETF(0EH)DLWKLL(MK8)EN(NH2) | | Authors: | Seo, H.-S, Dhe-Paganon, S. | | Deposit date: | 2019-11-27 | | Release date: | 2020-04-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Identification of a Structural Determinant for Selective Targeting of HDMX.
Structure, 28, 2020
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6V4E
 | | Crystal Structure Analysis of Zebra Fish MDM | | Descriptor: | Protein Mdm4, Stapled peptide QSQQTF(0EH)NLWRLL(MK8)QN(NH2) | | Authors: | Seo, H.-S, Dhe-Paganon, S. | | Deposit date: | 2019-11-27 | | Release date: | 2020-04-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Identification of a Structural Determinant for Selective Targeting of HDMX.
Structure, 28, 2020
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6V4F
 | | Crystal Structure Analysis of Zebra Fish MDMX | | Descriptor: | Protein Mdm4, SULFATE ION, Stapled Peptide LSQETF(0EH)DLWKLE(MK8)EN(NH2) | | Authors: | Seo, H.-S, Dhe-Paganon, S. | | Deposit date: | 2019-11-27 | | Release date: | 2020-04-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Identification of a Structural Determinant for Selective Targeting of HDMX.
Structure, 28, 2020
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6VO4
 | | Crystal Structure Analysis of BFL1 | | Descriptor: | Bcl-2-related protein A1 | | Authors: | Seo, H.-S, Dhe-Paganon, S. | | Deposit date: | 2020-01-29 | | Release date: | 2020-06-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Identification of a Covalent Molecular Inhibitor of Anti-apoptotic BFL-1 by Disulfide Tethering.
Cell Chem Biol, 27, 2020
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