8JVE
 
 | | Identification and characterization of inhibitors covalently modifying catalytic cysteine of UBE2T and blocking ubiquitin transfer | | Descriptor: | 1,2-ETHANEDIOL, 1-(3-methoxyphenyl)-1,2,3,4-tetrazole, Ubiquitin-conjugating enzyme E2 T | | Authors: | Anantharajan, J, Baburajendran, N. | | Deposit date: | 2023-06-28 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Identification and characterization of inhibitors covalently modifying catalytic cysteine of UBE2T and blocking ubiquitin transfer.
Biochem.Biophys.Res.Commun., 689, 2023
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8JVL
 | | Identification and characterization of inhibitors covalently modifying catalytic cysteine of UBE2T and blocking ubiquitin transfer | | Descriptor: | 1,2-ETHANEDIOL, 1-(4-methoxyphenyl)-1,2,3,4-tetrazole, Ubiquitin-conjugating enzyme E2 T | | Authors: | Anantharajan, J, Baburajendran, N. | | Deposit date: | 2023-06-28 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Identification and characterization of inhibitors covalently modifying catalytic cysteine of UBE2T and blocking ubiquitin transfer.
Biochem.Biophys.Res.Commun., 689, 2023
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8JUC
 | | Identification of small-molecule binding sites of a ubiquitin-conjugating enzyme-UBE2T through fragment-based screening | | Descriptor: | 1,2-ETHANEDIOL, 7-methyl-2-(trifluoromethyl)-3~{H}-[1,2,4]triazolo[1,5-a]pyridin-5-one, Ubiquitin-conjugating enzyme E2 T | | Authors: | Anantharajan, J, Baburajendran, N. | | Deposit date: | 2023-06-26 | | Release date: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Identification of small-molecule binding sites of a ubiquitin-conjugating enzyme-UBE2T through fragment-based screening.
Protein Sci., 33, 2024
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8JVD
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5GJ4
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5H4I
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5GPI
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5H6V
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2MHF
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6L6R
 | | Crystal structure of LRP6 E1E2-SOST complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Choi, H.-J, Kim, J. | | Deposit date: | 2019-10-29 | | Release date: | 2020-10-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Sclerostin inhibits Wnt signaling through tandem interaction with two LRP6 ectodomains.
Nat Commun, 11, 2020
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2LAV
 | | NMR solution structure of human Vaccinia-Related Kinase 1 | | Descriptor: | Vaccinia-related kinase 1 | | Authors: | Shin, J, Yoon, H.S. | | Deposit date: | 2011-03-21 | | Release date: | 2011-05-04 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | NMR Solution Structure of Human Vaccinia-related Kinase 1 (VRK1) Reveals the C-terminal Tail Essential for Its Structural Stability and Autocatalytic Activity.
J.Biol.Chem., 286, 2011
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5Y41
 | | Crystal Structure of LIGAND-BOUND NURR1-LBD | | Descriptor: | (13E,15S)-15-hydroxy-9-oxoprosta-10,13-dien-1-oic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sreekanth, R, Lescar, J, Yoon, H.S. | | Deposit date: | 2017-07-31 | | Release date: | 2018-12-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | PGE1 and PGA1 bind to Nurr1 and activate its transcriptional function.
Nat.Chem.Biol., 2020
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5YOF
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5YOD
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5BOD
 | | Crystal structure of Streptococcus pneumonia ParE inhibitor | | Descriptor: | (2R)-N-[3-(3,5-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-dioxane-2-carboxamide, DNA topoisomerase 4 subunit B | | Authors: | Tan, Y.W, Chen, G, Hung, A.W, Hill, J. | | Deposit date: | 2015-05-27 | | Release date: | 2015-06-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Application of Fragment-based Drug Discovery against DNA GyraseB
to be published
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5BOC
 | | Crystal structure of topoisomerase ParE inhibitor | | Descriptor: | 3-methyl-4-({3-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}carbamoyl)benzoic acid, DNA topoisomerase 4 subunit B | | Authors: | Tan, Y.W, Chen, G.Y, Hung, A.W, Hill, J. | | Deposit date: | 2015-05-27 | | Release date: | 2015-06-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Application of Fragment-based Drug Discovery against DNA GyraseB
To be published
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5DQE
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5DQ8
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7M17
 | | SN-407-LRRC8A in MSP1E3D1 lipid nanodiscs (Pose-1) | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 7-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}heptanoic acid, Volume-regulated anion channel subunit LRRC8A | | Authors: | Kern, D.M, Gerber, E.E, Brohawn, S.G. | | Deposit date: | 2021-03-12 | | Release date: | 2021-03-24 | | Last modified: | 2022-02-23 | | Method: | ELECTRON MICROSCOPY (3.65 Å) | | Cite: | Small molecule SWELL1 complex induction improves glycemic control and nonalcoholic fatty liver disease in murine Type 2 diabetes.
Nat Commun, 13, 2022
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7M19
 | | SN-407-LRRC8A in MSP1E3D1 lipid nanodiscs (Pose-2) | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 7-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}heptanoic acid, Volume-regulated anion channel subunit LRRC8A | | Authors: | Kern, D.M, Gerber, E.E, Brohawn, S.G. | | Deposit date: | 2021-03-12 | | Release date: | 2021-03-24 | | Last modified: | 2022-02-23 | | Method: | ELECTRON MICROSCOPY (3.69 Å) | | Cite: | Small molecule SWELL1 complex induction improves glycemic control and nonalcoholic fatty liver disease in murine Type 2 diabetes.
Nat Commun, 13, 2022
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6JM9
 | | cryo-EM structure of DOT1L bound to unmodified nucleosome | | Descriptor: | DNA strand I, DNA strand J, Histone H2A, ... | | Authors: | Jang, S, Song, J.J. | | Deposit date: | 2019-03-07 | | Release date: | 2019-05-15 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (7.3 Å) | | Cite: | Structural basis of recognition and destabilization of the histone H2B ubiquitinated nucleosome by the DOT1L histone H3 Lys79 methyltransferase.
Genes Dev., 33, 2019
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6JMA
 | | cryo-EM structure of DOT1L bound to H2B ubiquitinated nucleosome | | Descriptor: | DNA I&J, Histone H2A, Histone H2B 1.1, ... | | Authors: | Jang, S, Song, J.J. | | Deposit date: | 2019-03-07 | | Release date: | 2019-05-15 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (6.8 Å) | | Cite: | Structural basis of recognition and destabilization of the histone H2B ubiquitinated nucleosome by the DOT1L histone H3 Lys79 methyltransferase.
Genes Dev., 33, 2019
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6L4Z
 | | Crystal structure of Zika NS2B-NS3 protease with compound 6 | | Descriptor: | 4-(hydroxymethyl)benzoic acid, Genome polyprotein | | Authors: | Quek, J.P. | | Deposit date: | 2019-10-21 | | Release date: | 2020-07-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification and structural characterization of small molecule fragments targeting Zika virus NS2B-NS3 protease.
Antiviral Res., 175, 2020
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6L50
 | | Crystal structure of Zika NS2B-NS3 protease with compound 16 | | Descriptor: | 2-sulfanylidene-1,3-thiazolidin-4-one, NS3 protease, Serine protease subunit NS2B | | Authors: | Quek, J.P. | | Deposit date: | 2019-10-21 | | Release date: | 2020-07-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Identification and structural characterization of small molecule fragments targeting Zika virus NS2B-NS3 protease.
Antiviral Res., 175, 2020
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7F8G
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