1M7W
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![BU of 1m7w by Molmil](/molmil-images/mine/1m7w) | HNF4a ligand binding domain with bound fatty acid | Descriptor: | Hepatocyte nuclear factor 4-alpha, LAURIC ACID | Authors: | Dhe-Paganon, S, Duda, K, Iwamoto, M, Chi, Y.I, Shoelson, S.E. | Deposit date: | 2002-07-22 | Release date: | 2003-07-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the HNF4 alpha ligand binding domain in complex with endogenous fatty acid ligand J.Biol.Chem., 277, 2002
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1EKG
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![BU of 1ekg by Molmil](/molmil-images/mine/1ekg) | MATURE HUMAN FRATAXIN | Descriptor: | FRATAXIN | Authors: | Dhe-Paganon, S, Shigeta, R, Chi, Y.I, Ristow, M, Shoelson, S.E. | Deposit date: | 2000-03-08 | Release date: | 2000-11-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of human frataxin. J.Biol.Chem., 275, 2000
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1IFR
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![BU of 1ifr by Molmil](/molmil-images/mine/1ifr) | |
1QQG
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1Q2H
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![BU of 1q2h by Molmil](/molmil-images/mine/1q2h) | Phenylalanine Zipper Mediates APS Dimerization | Descriptor: | adaptor protein with pleckstrin homology and src homology 2 domains | Authors: | Dhe-Paganon, S, Werner, E.D, Nishi, M, Chi, Y.-I, Shoelson, S.E. | Deposit date: | 2003-07-24 | Release date: | 2004-08-03 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A phenylalanine zipper mediates APS dimerization. Nat.Struct.Mol.Biol., 11, 2004
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3EPZ
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![BU of 3epz by Molmil](/molmil-images/mine/3epz) | Structure of the replication foci-targeting sequence of human DNA cytosine methyltransferase DNMT1 | Descriptor: | DNA (cytosine-5)-methyltransferase 1, GLYCEROL, SODIUM ION, ... | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-09-30 | Release date: | 2008-11-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | The replication focus targeting sequence (RFTS) domain is a DNA-competitive inhibitor of Dnmt1. J.Biol.Chem., 286, 2011
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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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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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3EBQ
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![BU of 3ebq by Molmil](/molmil-images/mine/3ebq) | Crystal structure of human PPPDE1 | Descriptor: | MERCURY (II) ION, MOLECULE: PPPDE1 (PERMUTED PAPAIN FOLD PEPTIDASES OF DSRNA VIRUSES AND EUKARYOTES 1), UPF0326 protein FAM152B | Authors: | Walker, J.R, Akutsu, M, Qiu, L, Li, Y, Slessarev, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Botchkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-08-28 | Release date: | 2008-11-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of Human PPPDE1 To be Published
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1YLA
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![BU of 1yla by Molmil](/molmil-images/mine/1yla) | Ubiquitin-conjugating enzyme E2-25 kDa (Huntington interacting protein 2) | Descriptor: | Ubiquitin-conjugating enzyme E2-25 kDa | Authors: | Choe, J, Avvakumov, G.V, Newman, E.M, Mackenzie, F, Kozieradzki, I, Bochkarev, A, Sundstrom, M, Arrowsmith, C, Edwards, A, Dhe-paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2005-01-19 | Release date: | 2005-02-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis of E2-25K/UBB+1 interaction leading to proteasome inhibition and neurotoxicity J.Biol.Chem., 285, 2010
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1Y6L
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![BU of 1y6l by Molmil](/molmil-images/mine/1y6l) | Human ubiquitin conjugating enzyme E2E2 | Descriptor: | Ubiquitin-conjugating enzyme E2E2 | Authors: | Walker, J.R, Avvakumov, G.V, Newman, E.M, Mackenzie, F, Kozieradzki, I, Bochkarev, A, Sundstrom, M, Arrowsmith, C, Edwards, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2004-12-06 | Release date: | 2005-01-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen. Mol Cell Proteomics, 11, 2012
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1YH2
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![BU of 1yh2 by Molmil](/molmil-images/mine/1yh2) | Ubiquitin-Conjugating Enzyme HSPC150 | Descriptor: | HSPC150 protein similar to ubiquitin-conjugating enzyme | Authors: | Walker, J.R, Avvakumov, G.V, Newman, E.M, Mackenzie, F, Kozieradzki, I, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2005-01-06 | Release date: | 2005-02-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen. Mol Cell Proteomics, 11, 2012
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4WVL
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![BU of 4wvl by Molmil](/molmil-images/mine/4wvl) | Structure-Guided DOT1L Probe Optimization by Label-Free Ligand Displacement | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Histone-lysine N-methyltransferase, ... | Authors: | Xu, X, Dhe-Paganon, S, Blacklow, S. | Deposit date: | 2014-11-06 | Release date: | 2014-12-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structure-Guided DOT1L Probe Optimization by Label-Free Ligand Displacement. Acs Chem.Biol., 10, 2015
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4WJL
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![BU of 4wjl by Molmil](/molmil-images/mine/4wjl) | Structure of human dipeptidyl peptidase 10 (DPPY): a modulator of neuronal Kv4 channels | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Inactive dipeptidyl peptidase 10, ... | Authors: | Bezerra, G.A, Dobrovetsky, E, Seitova, A, Fedosyuk, S, Dhe-Paganon, S, Gruber, K. | Deposit date: | 2014-09-30 | Release date: | 2015-03-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure of human dipeptidyl peptidase 10 (DPPY): a modulator of neuronal Kv4 channels. Sci Rep, 5, 2015
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7S7G
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![BU of 7s7g by Molmil](/molmil-images/mine/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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6DUN
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![BU of 6dun by Molmil](/molmil-images/mine/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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4PYZ
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![BU of 4pyz by Molmil](/molmil-images/mine/4pyz) | Crystal structure of the first two Ubl domains of Deubiquitylase USP7 | Descriptor: | UNKNOWN ATOM OR ION, Ubiquitin carboxyl-terminal hydrolase 7 | Authors: | 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) | Deposit date: | 2014-03-28 | Release date: | 2014-04-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Crystal structure of the first two Ubl domains of Deubiquitylase USP7 to be published
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8TLO
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![BU of 8tlo by Molmil](/molmil-images/mine/8tlo) | Crystal Structure Analysis of BCL11A in complex with DNA | Descriptor: | B-cell lymphoma/leukemia 11A, DNA (5'-D(P*CP*GP*AP*CP*CP*GP*CP*AP*TP*TP*GP*GP*TP*CP*AP*AP*GP*CP*G)-3'), DNA (5'-D(P*GP*CP*TP*TP*GP*AP*CP*CP*AP*AP*TP*GP*CP*GP*GP*TP*CP*GP*C)-3'), ... | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2023-07-27 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Crystal Structure Analysis of BCL11A in complex with DNA To Be Published
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8ECM
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5JWM
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![BU of 5jwm by Molmil](/molmil-images/mine/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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7LI5
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![BU of 7li5 by Molmil](/molmil-images/mine/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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8CUC
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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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8EBK
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![BU of 8ebk by Molmil](/molmil-images/mine/8ebk) | |