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6XAW
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BU of 6xaw by Molmil
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
6XDJ
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BU of 6xdj by Molmil
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
8EBK
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BU of 8ebk by Molmil
Crystal Structure Analysis of xHDMX in complex with the stapled peptide PROTAC analog
Descriptor: ACE-LEU-THR-PHE-0EH-GLU-TYR-TRP-ALA-GLN-LEU-MK8-SER-ALA-ALA, HDMX
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2022-08-31
Release date:2023-10-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Crystal Structure Analysis of xHDMX in complex with the stapled peptide PROTAC analog
To Be Published
7LI5
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BU of 7li5 by Molmil
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
7MKX
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BU of 7mkx by Molmil
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
6O34
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BU of 6o34 by Molmil
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
6O33
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BU of 6o33 by Molmil
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
6P3A
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BU of 6p3a by Molmil
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
6P39
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BU of 6p39 by Molmil
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
6U9Q
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BU of 6u9q by Molmil
Crystal Structure Analysis of DNA-BCL11A Znf domain complex
Descriptor: B-cell lymphoma/leukemia 11A, DNA3, DNA5, ...
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2019-09-09
Release date:2020-09-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal Structure Analysis of TAF1 Bromodomain
To Be Published
6VQM
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BU of 6vqm by Molmil
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
7S7G
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BU of 7s7g by Molmil
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:2023-10-18
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Crystal Structure Analysis of Human VLCAD
To Be Published
7SZD
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BU of 7szd by Molmil
Crystal Structure Analysis of human PRPK complex with a compound
Descriptor: 2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid, EKC/KEOPS complex subunit TP53RK, EKC/KEOPS complex subunit TPRKB
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2021-11-27
Release date:2022-12-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Development of PRPK Directed Phthalimides
Biorxiv, 2021
7SZC
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BU of 7szc by Molmil
Crystal Structure Analysis of human PRPK complex with a compound
Descriptor: 4-hydroxy-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione, D(-)-TARTARIC ACID, EKC/KEOPS complex subunit TP53RK, ...
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2021-11-27
Release date:2022-12-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Development of PRPK Directed Phthalimides
Biorxiv, 2021
7SZB
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BU of 7szb by Molmil
Crystal Structure Analysis of human PRPK complex with a compound
Descriptor: 5-amino-2-[(3R)-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione, CITRATE ANION, EKC/KEOPS complex subunit TP53RK, ...
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2021-11-27
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Development of PRPK Directed Phthalimides
Biorxiv, 2021
7SZA
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BU of 7sza by Molmil
Crystal Structure Analysis of human PRPK complex with a compound
Descriptor: 4-amino-2-[(3R)-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione, CITRATE ANION, EKC/KEOPS complex subunit TP53RK, ...
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2021-11-27
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Development of PRPK Directed Phthalimides
Biorxiv, 2021
7TUN
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BU of 7tun by Molmil
Crystal structure analysis of human CKB complex with a covalent compound
Descriptor: (2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide, Creatine kinase B-type
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 (2.93 Å)
Cite:Crystal Structure Analysis of human CKB complex with a covalent compound
To Be Published
7TUO
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BU of 7tuo by Molmil
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
7U5W
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BU of 7u5w by Molmil
Crystal Structure Analysis of human Carbonic anhydrase 2
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2022-03-02
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Crystal Structure Analysis of human Carbonic anhydrase 2
To Be Published
7U5X
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BU of 7u5x by Molmil
Crystal Structure Analysis of human Carbonic anhydrase 2
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2022-03-02
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Crystal Structure Analysis of human Carbonic anhydrase 2
To Be Published
7KMR
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BU of 7kmr by Molmil
Crystal structure analysis of human KRAS mutant
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2020-11-03
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Regulation of GTPase function by autophosphorylation.
Mol.Cell, 82, 2022
6DUN
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BU of 6dun by Molmil
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
5JWM
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BU of 5jwm by Molmil
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
6OSP
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BU of 6osp by Molmil
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
6P38
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BU of 6p38 by Molmil
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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