7EJV
 
 | | The co-crystal structure of DYRK2 with YK-2-69 | | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, [6-[[4-[2-(dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoranyl-pyrimidin-2-yl]amino]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone | | Authors: | Li, Z, Xiao, Y, Yuan, K, Kuang, W, Xiuquan, Y, Yang, P. | | Deposit date: | 2021-04-02 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Targeting dual-specificity tyrosine phosphorylation-regulated kinase 2 with a highly selective inhibitor for the treatment of prostate cancer.
Nat Commun, 13, 2022
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2R9S
 | | c-Jun N-terminal Kinase 3 with 3,5-Disubstituted Quinoline inhibitor | | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 10, N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide, ... | | Authors: | Habel, J. | | Deposit date: | 2007-09-13 | | Release date: | 2007-10-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 3,5-Disubstituted quinolines as novel c-Jun N-terminal kinase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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3FV8
 | | JNK3 bound to piperazine amide inhibitor, SR2774. | | Descriptor: | 1,2-ETHANEDIOL, 5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide, Mitogen-activated protein kinase 10 | | Authors: | Habel, J.E. | | Deposit date: | 2009-01-15 | | Release date: | 2009-04-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Synthesis and SAR of piperazine amides as novel c-jun N-terminal kinase (JNK) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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5YKO
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5YKN
 | | crystal structure of Arabidopsis thaliana JMJ14 catalytic domain | | Descriptor: | NICKEL (II) ION, Probable lysine-specific demethylase JMJ14, ZINC ION | | Authors: | Yang, Z, Du, J. | | Deposit date: | 2017-10-15 | | Release date: | 2017-12-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the Arabidopsis JMJ14-H3K4me3 Complex Provides Insight into the Substrate Specificity of KDM5 Subfamily Histone Demethylases.
Plant Cell, 30, 2018
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5ZVS
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5ZVT
 | | Structure of RNA polymerase complex and genome within a dsRNA virus provides insights into the mechanisms of transcription and assembly | | Descriptor: | C-terminus of outer capsid protein VP5, Core protein VP6, MYRISTIC ACID, ... | | Authors: | Liu, H, Fang, Q, Cheng, L. | | Deposit date: | 2018-05-12 | | Release date: | 2018-07-04 | | Last modified: | 2018-07-25 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure of RNA polymerase complex and genome within a dsRNA virus provides insights into the mechanisms of transcription and assembly.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3KVX
 | | JNK3 bound to aminopyrimidine inhibitor, SR-3562 | | Descriptor: | Mitogen-activated protein kinase 10, N-[(2Z)-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2(1H)-ylidene]-4-(3-morpholin-4-yl-1H-1,2,4-triazol-1-yl)aniline | | Authors: | Habel, J.E, Laughlin, J.D, LoGrasso, P. | | Deposit date: | 2009-11-30 | | Release date: | 2009-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Synthesis, Biological Evaluation, X-ray Structure, and Pharmacokinetics of Aminopyrimidine c-jun-N-terminal Kinase (JNK) Inhibitors
J.Med.Chem., 53, 2010
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5T35
 | | The PROTAC MZ1 in complex with the second bromodomain of Brd4 and pVHL:ElonginC:ElonginB | | Descriptor: | (2~{S},4~{R})-1-[(2~{S})-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]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Transcription elongation factor B polypeptide 1, ... | | Authors: | Gadd, M.S, Zengerle, M, Ciulli, A. | | Deposit date: | 2016-08-24 | | Release date: | 2017-03-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis of PROTAC cooperative recognition for selective protein degradation.
Nat. Chem. Biol., 13, 2017
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5Y9V
 | | Crystal structure of diamondback moth ryanodine receptor N-terminal domain | | Descriptor: | CHLORIDE ION, GLYCEROL, Ryanodine receptor 1 | | Authors: | Lin, L, Yuchi, Z. | | Deposit date: | 2017-08-28 | | Release date: | 2017-12-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.841 Å) | | Cite: | Crystal structure of ryanodine receptor N-terminal domain from Plutella xylostella reveals two potential species-specific insecticide-targeting sites.
Insect Biochem. Mol. Biol., 92, 2017
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6IET
 | | The crystal structure of TRIM66 PHD-Bromo domain | | Descriptor: | Tripartite motif-containing protein 66, ZINC ION | | Authors: | Chen, J. | | Deposit date: | 2018-09-17 | | Release date: | 2019-09-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | TRIM66 reads unmodified H3R2K4 and H3K56ac to respond to DNA damage in embryonic stem cells.
Nat Commun, 10, 2019
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6IEU
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3N2N
 | | The Crystal Structure of Tumor Endothelial Marker 8 (TEM8) extracellular domain | | Descriptor: | ACETATE ION, Anthrax toxin receptor 1, MAGNESIUM ION | | Authors: | Fu, S, Tong, X.H, Wu, Y, Li, Y.Y, Rao, Z.H. | | Deposit date: | 2010-05-18 | | Release date: | 2011-01-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The structure of tumor endothelial marker 8 (TEM8) extracellular domain and implications for its receptor function for recognizing anthrax toxin.
Plos One, 5, 2010
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3N7Z
 | | Crystal structure of acetyltransferase from Bacillus anthracis | | Descriptor: | Acetyltransferase, GNAT family, SODIUM ION | | Authors: | Chang, C, Wu, R, Gornicki, P, Zhang, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-05-27 | | Release date: | 2010-06-16 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Biochemical and Structural Analysis of an Eis Family Aminoglycoside Acetyltransferase from Bacillus anthracis.
Biochemistry, 54, 2015
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5UEH
 | | Structure of GSTO1 covalently conjugated to quinolinic acid fluorosulfate | | Descriptor: | 2-(4-chlorophenyl)-6-[(fluorosulfonyl)oxy]quinoline-4-carboxylic acid, GLYCEROL, Glutathione S-transferase omega-1, ... | | Authors: | Mortenson, D.E, Wilson, I.A, Kelly, J.W. | | Deposit date: | 2017-01-02 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | "Inverse Drug Discovery" Strategy To Identify Proteins That Are Targeted by Latent Electrophiles As Exemplified by Aryl Fluorosulfates.
J. Am. Chem. Soc., 140, 2018
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5UI4
 | | Structure of NME1 covalently conjugated to imidazole fluorosulfate | | Descriptor: | 4-[4-(3-methoxyphenyl)-1-(prop-2-yn-1-yl)-1H-imidazol-5-yl]phenyl sulfurofluoridate, Nucleoside diphosphate kinase A | | Authors: | Mortenson, D.E, Brighty, G.J, Wilson, I.A, Kelly, J.W. | | Deposit date: | 2017-01-12 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | "Inverse Drug Discovery" Strategy To Identify Proteins That Are Targeted by Latent Electrophiles As Exemplified by Aryl Fluorosulfates.
J. Am. Chem. Soc., 140, 2018
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3RIG
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7FH5
 | | Structure of AdaV | | Descriptor: | AdaV, CHLORIDE ION, FE (III) ION | | Authors: | Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M. | | Deposit date: | 2021-07-29 | | Release date: | 2022-08-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis
Acs Catalysis, 12, 2022
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7WWL
 | | S protein of Delta variant in complex with ZWD12 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Guo, Y.Y, Zhang, Y.Y, Zhou, Q. | | Deposit date: | 2022-02-13 | | Release date: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Broadly neutralizing antibodies against Omicron-included SARS-CoV-2 variants induced by vaccination.
Signal Transduct Target Ther, 7, 2022
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7WWM
 | | S protein of Delta variant in complex with ZWC6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Guo, Y.Y, Zhang, Y.Y, Zhou, Q. | | Deposit date: | 2022-02-13 | | Release date: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Broadly neutralizing antibodies against Omicron-included SARS-CoV-2 variants induced by vaccination.
Signal Transduct Target Ther, 7, 2022
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8I1T
 | | The asymmetric unit of P22 empty capsid | | Descriptor: | Major capsid protein | | Authors: | Xiao, H, Liu, H.R, Cheng, L.P. | | Deposit date: | 2023-01-13 | | Release date: | 2023-03-08 | | Last modified: | 2023-03-15 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Assembly and Capsid Expansion Mechanism of Bacteriophage P22 Revealed by High-Resolution Cryo-EM Structures.
Viruses, 15, 2023
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8I1V
 | | The asymmetric unit of P22 procapsid | | Descriptor: | Major capsid protein, Scaffolding protein | | Authors: | Xiao, H, Liu, H.R, Cheng, L.P. | | Deposit date: | 2023-01-13 | | Release date: | 2023-03-08 | | Last modified: | 2023-03-15 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Assembly and Capsid Expansion Mechanism of Bacteriophage P22 Revealed by High-Resolution Cryo-EM Structures.
Viruses, 15, 2023
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5ZZ8
 | | Structure of the Herpes simplex virus type 2 C-capsid with capsid-vertex-specific component | | Descriptor: | Major capsid protein, UL17, UL25, ... | | Authors: | Wang, J.L, Yuan, S, Zhu, D.J, Tang, H, Wang, N, Chen, W.Y, Gao, Q, Li, Y.H, Wang, J.Z, Liu, H.R, Zhang, X.Z, Rao, Z.H, Wang, X.X. | | Deposit date: | 2018-05-31 | | Release date: | 2018-10-10 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (3.75 Å) | | Cite: | Structure of the herpes simplex virus type 2 C-capsid with capsid-vertex-specific component.
Nat Commun, 9, 2018
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6A72
 | | Copper transporter protein | | Descriptor: | ATP7B protein, CALCIUM ION, dioxo(di-mu-sulfide)dimolybdenum | | Authors: | Chen, W.B. | | Deposit date: | 2018-07-01 | | Release date: | 2019-04-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Tetrathiomolybdate induces dimerization of the metal-binding domain of ATPase and inhibits platination of the protein.
Nat Commun, 10, 2019
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6A71
 | | Crystal Structure of Human ATP7B and TM Complex | | Descriptor: | ATP7B protein, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Chen, W.B. | | Deposit date: | 2018-06-30 | | Release date: | 2019-04-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Tetrathiomolybdate induces dimerization of the metal-binding domain of ATPase and inhibits platination of the protein.
Nat Commun, 10, 2019
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