7NE6
 
 | | Human TET2 in complex with unfavourable DNA substrate. | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (5'-D(*AP*CP*AP*GP*GP*(5CM)P*GP*CP*CP*TP*G)-3'), ... | | Authors: | Rafalski, D, Bochtler, M. | | Deposit date: | 2021-02-03 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Pronounced sequence specificity of the TET enzyme catalytic domain guides its cellular function.
Sci Adv, 8, 2022
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5IMX
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5YGU
 | | Crystal structure of Escherichia coli (strain K12) mRNA Decapping Complex RppH-DapF | | Descriptor: | Diaminopimelate epimerase, IODIDE ION, L(+)-TARTARIC ACID, ... | | Authors: | Wang, Q, Guan, Z.Y, Zhang, D.L, Zou, T.T, Yin, P. | | Deposit date: | 2017-09-27 | | Release date: | 2018-06-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.298 Å) | | Cite: | DapF stabilizes the substrate-favoring conformation of RppH to stimulate its RNA-pyrophosphohydrolase activity in Escherichia coli.
Nucleic Acids Res., 46, 2018
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8F1F
 | | Structure of K48-linked tri-ubiquitin in complex with cyclic peptide | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Non-proteinogenic cyclic peptide (inhibitor), ... | | Authors: | Lubkowski, J, Fushman, D, Lemma, B. | | Deposit date: | 2022-11-05 | | Release date: | 2023-11-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Mechanism of selective recognition of Lys48-linked polyubiquitin by macrocyclic peptide inhibitors of proteasomal degradation.
Nat Commun, 14, 2023
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5YZV
 | | Biophysical and structural characterization of the thermostable WD40 domain of a prokaryotic protein, Thermomonospora curvata PkwA | | Descriptor: | Probable serine/threonine-protein kinase PkwA | | Authors: | Li, D.Y, Shen, C, Du, Y, Qiao, F.F, Kong, T, Yuan, L.R, Zhang, D.L, Wu, X.H, Wu, Y.D. | | Deposit date: | 2017-12-15 | | Release date: | 2018-10-03 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Biophysical and structural characterization of the thermostable WD40 domain of a prokaryotic protein, Thermomonospora curvata PkwA
Sci Rep, 8, 2018
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5TX5
 | | Rip1 Kinase ( flag 1-294, C34A, C127A, C233A, C240A) with GSK772 | | Descriptor: | 3-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-5-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Campobasso, N, Ward, P, Thrope, J. | | Deposit date: | 2016-11-15 | | Release date: | 2017-07-05 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for the Treatment of Inflammatory Diseases.
J. Med. Chem., 60, 2017
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8GKF
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4YTI
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8CGO
 | | Structure of human butyrylcholinesterase in complex with N-{[2-(benzyloxy)-3-methoxyphenyl]methyl}-N-[3-(2-fluorophenyl)propyl]cyclobutanamine | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Brazzolotto, X, Pidany, F, Korabecny, J, Cahlikova, L, Nachon, F. | | Deposit date: | 2023-02-06 | | Release date: | 2023-06-14 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Highly selective butyrylcholinesterase inhibitors related to Amaryllidaceae alkaloids - Design, synthesis, and biological evaluation.
Eur.J.Med.Chem., 252, 2023
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4YET
 | | X-ray crystal structure of superoxide dismutase from Babesia bovis solved by Sulfur SAD | | Descriptor: | FE (III) ION, Superoxide dismutase | | Authors: | Fairman, J.W, Clifton, M.C, Abendroth, J, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2015-02-24 | | Release date: | 2015-04-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Iron superoxide dismutases in eukaryotic pathogens: new insights from Apicomplexa and Trypanosoma structures.
Acta Crystallogr.,Sect.F, 71, 2015
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4JBA
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5HX6
 | | Crystal structure of RIP1 kinase with a benzo[b][1,4]oxazepin-4-one | | Descriptor: | 5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Campobasso, N, Ward, P. | | Deposit date: | 2016-01-29 | | Release date: | 2016-03-02 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | DNA-Encoded Library Screening Identifies Benzo[b][1,4]oxazepin-4-ones as Highly Potent and Monoselective Receptor Interacting Protein 1 Kinase Inhibitors.
J.Med.Chem., 59, 2016
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4YTC
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4YTH
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4YTF
 | | Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases | | Descriptor: | N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-L-alaninamide, Tyrosine-protein kinase JAK2 | | Authors: | Farmer, L, Ledeboer, M.W, Zuccola, H.J. | | Deposit date: | 2015-03-17 | | Release date: | 2015-08-12 | | Last modified: | 2015-10-07 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
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1PVD
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5OX5
 | | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with CCT6, a GSK1278863-related compound | | Descriptor: | (6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)glycine, BICARBONATE ION, Egl nine homolog 1, ... | | Authors: | Chowdhury, R, Thinnes, C.C, Schofield, C.J. | | Deposit date: | 2017-09-06 | | Release date: | 2017-10-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.251 Å) | | Cite: | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
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8G0M
 | | Structure of complex between TV6.6 and CD98hc ECD | | Descriptor: | 1,2-ETHANEDIOL, 4F2 cell-surface antigen heavy chain, TETRAETHYLENE GLYCOL, ... | | Authors: | Kariolis, M.S, Lexa, K, Liau, N.P.D, Srivastava, D, Tran, H, Wells, R.C. | | Deposit date: | 2023-01-31 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | CD98hc is a target for brain delivery of biotherapeutics.
Nat Commun, 14, 2023
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5XKY
 | | Crystal structure of DddY Se derivative | | Descriptor: | Uncharacterized protein, ZINC ION | | Authors: | Li, C.Y, Zhang, Y.Z. | | Deposit date: | 2017-05-10 | | Release date: | 2017-11-01 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.303 Å) | | Cite: | Mechanistic Insights into Dimethylsulfoniopropionate Lyase DddY, a New Member of the Cupin Superfamily.
J. Mol. Biol., 429, 2017
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5XN6
 | | Heterodimer crystal structure of geranylgeranyl diphosphate synthases 1 with GGPPS Recruiting Protein(OsGRP) from Oryza sativa | | Descriptor: | Os02g0668100 protein, Os07g0580900 protein | | Authors: | Wang, C, Zhou, F, Lu, S, Zhang, P. | | Deposit date: | 2017-05-18 | | Release date: | 2017-06-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.598 Å) | | Cite: | A recruiting protein of geranylgeranyl diphosphate synthase controls metabolic flux toward chlorophyll biosynthesis in rice
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5XN5
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5XKX
 | | Crystal structure of WT DddY | | Descriptor: | ACETATE ION, Uncharacterized protein, ZINC ION | | Authors: | Li, C.Y, Zhang, Y.Z. | | Deposit date: | 2017-05-10 | | Release date: | 2017-11-01 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mechanistic Insights into Dimethylsulfoniopropionate Lyase DddY, a New Member of the Cupin Superfamily.
J. Mol. Biol., 429, 2017
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5Y4K
 | | Crystal structure of DddY mutant Y260A | | Descriptor: | ACRYLIC ACID, DMSP lyase DddY, ZINC ION | | Authors: | Zhang, Y.Z, Li, C.Y. | | Deposit date: | 2017-08-03 | | Release date: | 2017-11-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanistic Insights into Dimethylsulfoniopropionate Lyase DddY, a New Member of the Cupin Superfamily.
J. Mol. Biol., 429, 2017
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7NRO
 | | Crystal structure of AlkB in complex with manganese and N-(4-((6-((carboxymethyl)carbamoyl)-5-hydroxypyridin-2-yl)amino)phenyl)-N-oxohydroxylammonium | | Descriptor: | 2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Alpha-ketoglutarate-dependent dioxygenase AlkB, MANGANESE (II) ION | | Authors: | Shishodia, S, Maheswaran, P, Leissing, T, Aik, W.S, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2021-03-04 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structure-Based Design of Selective Fat Mass and Obesity Associated Protein (FTO) Inhibitors.
J.Med.Chem., 64, 2021
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3NEW
 | | p38-alpha complexed with Compound 10 | | Descriptor: | 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, Mitogen-activated protein kinase 14 | | Authors: | Goedken, E.R, Comess, K.M, Sun, C, Argiriadi, M, Jia, Y, Quinn, C.M, Banach, D.L, Marcotte, D, Borhani, D. | | Deposit date: | 2010-06-09 | | Release date: | 2010-12-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Discovery and Characterization of Non-ATP Site Inhibitors of the Mitogen Activated Protein (MAP) Kinases.
Acs Chem.Biol., 6, 2011
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