8GUE
| Crystal Structure of narbomycin-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 monooxygenase PikC, ... | Authors: | Li, G.B, Pan, Y.J, Li, S.Y, Gao, X. | Deposit date: | 2022-09-11 | Release date: | 2023-02-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Unnatural activities and mechanistic insights of cytochrome P450 PikC gained from site-specific mutagenesis by non-canonical amino acids. Nat Commun, 14, 2023
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5H14
| EED in complex with an allosteric PRC2 inhibitor EED666 | Descriptor: | 2-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-3,4-dihydro-1H-isoquinoline, GLYCEROL, Histone-lysine N-methyltransferase EZH2, ... | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | Deposit date: | 2016-10-08 | Release date: | 2017-01-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED PLoS ONE, 12, 2017
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5H15
| EED in complex with PRC2 allosteric inhibitor EED709 | Descriptor: | (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | Deposit date: | 2016-10-08 | Release date: | 2017-01-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED PLoS ONE, 12, 2017
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5GSA
| EED in complex with an allosteric PRC2 inhibitor | Descriptor: | Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | Deposit date: | 2016-08-15 | Release date: | 2017-02-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of Nat. Chem. Biol., 13, 2017
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5H13
| EED in complex with PRC2 allosteric inhibitor EED396 | Descriptor: | 4-azanylidene-2-(3-methoxy-4-propan-2-yloxy-phenyl)-6,7-dihydro-[1,3]benzodioxolo[6,5-a]quinolizine-3-carbonitrile, GLYCEROL, PRASEODYMIUM ION, ... | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | Deposit date: | 2016-10-08 | Release date: | 2017-01-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED PLoS ONE, 12, 2017
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5H17
| EED in complex with PRC2 allosteric inhibitor EED210 | Descriptor: | (3R,4aS,10aS)-6-methoxy-3-[(3-methoxyphenyl)methyl]-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | Deposit date: | 2016-10-08 | Release date: | 2017-01-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED PLoS ONE, 12, 2017
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8H1T
| Cryo-EM structure of BAP1-ASXL1 bound to chromatosome | Descriptor: | DNA (187-MER), Histone H1.4, Histone H2A type 1-D, ... | Authors: | Ge, W, Yu, C, Xu, R.M. | Deposit date: | 2022-10-04 | Release date: | 2023-02-01 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Basis of the H2AK119 specificity of the Polycomb repressive deubiquitinase. Nature, 616, 2023
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4YO6
| Irak4-inhibitor co-structure | Descriptor: | Interleukin-1 receptor-associated kinase 4, N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide | Authors: | Fischmann, T.O. | Deposit date: | 2015-03-11 | Release date: | 2015-05-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Potent and Selective Amidopyrazole Inhibitors of IRAK4 That Are Efficacious in a Rodent Model of Inflammation. Acs Med.Chem.Lett., 6, 2015
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4YP8
| Irak4-inhibitor co-structure | Descriptor: | Interleukin-1 receptor-associated kinase 4, N-{1-(4-cyclopropyl-2-fluorophenyl)-3-[1-(propan-2-yl)piperidin-4-yl]-1H-pyrazol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide | Authors: | Fischmann, T.O. | Deposit date: | 2015-03-12 | Release date: | 2015-05-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.641 Å) | Cite: | Potent and Selective Amidopyrazole Inhibitors of IRAK4 That Are Efficacious in a Rodent Model of Inflammation. Acs Med.Chem.Lett., 6, 2015
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5F59
| The crystal structure of MLL3 SET domain | Descriptor: | Histone-lysine N-methyltransferase 2C, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION | Authors: | Li, Y, Lei, M, Chen, Y. | Deposit date: | 2015-12-04 | Release date: | 2016-02-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | Structural basis for activity regulation of MLL family methyltransferases. Nature, 530, 2016
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5F6L
| The crystal structure of MLL1 (N3861I/Q3867L) in complex with RbBP5 and Ash2L | Descriptor: | Histone-lysine N-methyltransferase 2A, Retinoblastoma-binding protein 5, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Li, Y, Lei, M, Chen, Y. | Deposit date: | 2015-12-06 | Release date: | 2016-02-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for activity regulation of MLL family methyltransferases. Nature, 530, 2016
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5F5E
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5F6K
| Crystal structure of the MLL3-Ash2L-RbBP5 complex | Descriptor: | Histone-lysine N-methyltransferase 2C, Retinoblastoma-binding protein 5, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Li, Y, Lei, M, Chen, Y. | Deposit date: | 2015-12-06 | Release date: | 2016-02-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.411 Å) | Cite: | Structural basis for activity regulation of MLL family methyltransferases. Nature, 530, 2016
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3ESW
| Complex of yeast PNGase with GlcNAc2-IAc. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Peptide-N(4)-(N-acetyl-beta-glucosaminyl)asparagine amidase, UV excision repair protein RAD23, ... | Authors: | Zhao, G, Zhou, X, Lennarz, W.J, Schindelin, H. | Deposit date: | 2008-10-06 | Release date: | 2008-11-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural and mutational studies on the importance of oligosaccharide binding for the activity of yeast PNGase. Glycobiology, 19, 2009
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2LN0
| Structure of MOZ | Descriptor: | Histone acetyltransferase KAT6A, ZINC ION | Authors: | Qiu, Y. | Deposit date: | 2011-12-15 | Release date: | 2012-06-27 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Combinatorial readout of unmodified H3R2 and acetylated H3K14 by the tandem PHD finger of MOZ reveals a regulatory mechanism for HOXA9 transcription. Genes Dev., 26, 2012
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7W2I
| Crystal structure of LOG (Rv1205) from Mycobacterium tuberculosis | Descriptor: | 1,2-ETHANEDIOL, Cytokinin riboside 5'-monophosphate phosphoribohydrolase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Shang, L, Zhang, G. | Deposit date: | 2021-11-23 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the cytokinin-producing enzyme "lonely guy" (LOG) from Mycobacterium tuberculosis. Biochem.Biophys.Res.Commun., 598, 2022
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1X79
| Crystal structure of human GGA1 GAT domain complexed with the GAT-binding domain of Rabaptin5 | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADP-ribosylation factor binding protein GGA1, Rab GTPase binding effector protein 1, ... | Authors: | Zhu, G, Zhang, X.C. | Deposit date: | 2004-08-13 | Release date: | 2004-10-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Crystal structure of human GGA1 GAT domain complexed with the GAT-binding domain of Rabaptin5. EMBO J., 23, 2004
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8HEF
| The Crystal structure of deuterated S-217622 (Ensitrelvir) bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 | Descriptor: | 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL | Authors: | Yan, M, Zhang, H. | Deposit date: | 2022-11-08 | Release date: | 2023-04-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Synthesis of deuterated S-217622 (Ensitrelvir) with antiviral activity against coronaviruses including SARS-CoV-2. Antiviral Res., 213, 2023
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4Z9P
| Crystal structure of Ebola virus nucleoprotein core domain at 1.8A resolution | Descriptor: | Nucleoprotein | Authors: | Guo, Y, Dong, S.S, Yang, P, Li, G.B, Liu, B.C, Yang, C, Rao, Z.H. | Deposit date: | 2015-04-11 | Release date: | 2015-05-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.792 Å) | Cite: | Insight into the Ebola virus nucleocapsid assembly mechanism: crystal structure of Ebola virus nucleoprotein core domain at 1.8 A resolution. Protein Cell, 6, 2015
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5IG8
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5IG9
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3V43
| Crystal structure of MOZ | Descriptor: | ACETATE ION, Histone H3.1, Histone acetyltransferase KAT6A, ... | Authors: | Qiu, Y, Li, F. | Deposit date: | 2011-12-14 | Release date: | 2012-06-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Combinatorial readout of unmodified H3R2 and acetylated H3K14 by the tandem PHD finger of MOZ reveals a regulatory mechanism for HOXA9 transcription Genes Dev., 26, 2012
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3GAE
| Crystal Structure of PUL | Descriptor: | CHLORIDE ION, GLYCEROL, Protein DOA1 | Authors: | Zhao, G, Schindelin, H, Lennarz, W.J. | Deposit date: | 2009-02-17 | Release date: | 2009-12-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | An Armadillo motif in Ufd3 interacts with Cdc48 and is involved in ubiquitin homeostasis and protein degradation Proc.Natl.Acad.Sci.USA, 106, 2009
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5JMF
| Heparinase III-BT4657 gene product | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Heparinase III protein, ... | Authors: | Ulaganathan, T.S, Shi, R, Yao, D, Garron, M.-L, Cherney, M, Cygler, M. | Deposit date: | 2016-04-28 | Release date: | 2016-05-25 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (1.854 Å) | Cite: | Conformational flexibility of PL12 family heparinases: structure and substrate specificity of heparinase III from Bacteroides thetaiotaomicron (BT4657). Glycobiology, 27, 2017
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7UOX
| NDM1-inhibitor co-structure | Descriptor: | (2M)-4'-(hydroxymethyl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-ol, ACETATE ION, CADMIUM ION, ... | Authors: | Scapin, G, Fischmann, T.O. | Deposit date: | 2022-04-14 | Release date: | 2023-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates. J.Med.Chem., 65, 2022
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