6WBW
 
 | | Structure of Human HDAC2 in complex with an ethyl ketone inhibitor | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ... | | Authors: | Klein, D.J, Yu, W. | | Deposit date: | 2020-03-27 | | Release date: | 2020-05-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Discovery of ethyl ketone-based HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 30, 2020
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3CF8
 | | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with quercetin | | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 3,5,7,3',4'-PENTAHYDROXYFLAVONE, BENZAMIDINE, ... | | Authors: | Zhang, L, Wu, D, Liu, W, Shen, X, Jiang, H. | | Deposit date: | 2008-03-03 | | Release date: | 2008-12-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Three flavonoids targeting the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: crystal structure characterization with enzymatic inhibition assay
Protein Sci., 17, 2008
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3CF9
 | | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with apigenin | | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, BENZAMIDINE, ... | | Authors: | Zhang, L, Wu, D, Liu, W, Shen, X, Jiang, H. | | Deposit date: | 2008-03-03 | | Release date: | 2008-12-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Three flavonoids targeting the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: crystal structure characterization with enzymatic inhibition assay
Protein Sci., 17, 2008
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6ZOV
 | | ENTEROPEPTIDASE IN COMPLEX WITH COMPOUND 6 | | Descriptor: | 1,2-ETHANEDIOL, 4-carbamimidamidobenzoic acid, Enteropeptidase, ... | | Authors: | Cummings, M.D. | | Deposit date: | 2020-07-07 | | Release date: | 2020-10-21 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Targeting Enteropeptidase with Reversible Covalent Inhibitors To Achieve Metabolic Benefits.
J.Pharmacol.Exp.Ther., 375, 2020
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5DP4
 | | Crystal Structure of EV71 3C Proteinase in complex with compound 3 | | Descriptor: | 3C proteinase, ethyl (2Z,4S)-4-{[(2S)-2-methyl-3-phenylpropanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | | Authors: | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | | Deposit date: | 2015-09-12 | | Release date: | 2016-03-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
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5DP9
 | | Crystal Structure of EV71 3C Proteinase in complex with compound 9 | | Descriptor: | 3C proteinase, ethyl (2Z,4S)-4-[(N-{[(cyclobutylmethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | | Authors: | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | | Deposit date: | 2015-09-12 | | Release date: | 2016-03-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
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5DP8
 | | Crystal Structure of EV71 3C Proteinase in complex with compound 8 | | Descriptor: | 3C proteinase, ethyl (2Z,4S)-4-[(N-{[(2-cyclopropylethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | | Authors: | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | | Deposit date: | 2015-09-12 | | Release date: | 2016-03-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
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5DPA
 | | Crystal Structure of EV71 3C Proteinase in complex with compound 6 | | Descriptor: | 3C proteinase, ethyl (2Z,4S)-4-[(N-acetyl-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | | Authors: | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | | Deposit date: | 2015-09-12 | | Release date: | 2016-03-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
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4KSY
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5ZUD
 | | Fit R10 Fab coordinates into the cryo-EM of EV71 in complex with D6 | | Descriptor: | Capsid protein VP1, R10 ANTIBODY HEAVY CHAIN, R10 ANTIBODY LIGHT CHAIN, ... | | Authors: | Wang, X, Zhu, L, Wang, N. | | Deposit date: | 2018-05-07 | | Release date: | 2019-12-25 | | Last modified: | 2024-09-25 | | Method: | ELECTRON MICROSCOPY (4.9 Å) | | Cite: | Neutralization Mechanisms of Two Highly Potent Antibodies against Human Enterovirus 71.
Mbio, 9, 2018
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5ZUF
 | | Fit R10 Fab coordinates into the cryo-EM of EV71 in complex with A9 | | Descriptor: | Capsid protein VP1, R10 ANTIBODY HEAVY CHAIN, R10 ANTIBODY LIGHT CHAIN, ... | | Authors: | Wang, X, Zhu, L, Wang, N. | | Deposit date: | 2018-05-07 | | Release date: | 2019-12-25 | | Last modified: | 2024-09-25 | | Method: | ELECTRON MICROSCOPY (6.8 Å) | | Cite: | Neutralization Mechanisms of Two Highly Potent Antibodies against Human Enterovirus 71.
Mbio, 9, 2018
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8TH1
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8TH7
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8TH6
 | | Crystal Structure of the G3BP1 NTF2-like domain bound to USP10 peptide | | Descriptor: | 1,2-ETHANEDIOL, Ras GTPase-activating protein-binding protein 1, Ubiquitin carboxyl-terminal hydrolase 10 | | Authors: | Hughes, M.P, Taylor, J.P, Yang, Z. | | Deposit date: | 2023-07-14 | | Release date: | 2024-03-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Interaction between host G3BP and viral nucleocapsid protein regulates SARS-CoV-2 replication and pathogenicity.
Cell Rep, 43, 2024
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8TH5
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5HVY
 | | CDK8/CYCC IN COMPLEX WITH COMPOUND 20 | | Descriptor: | CHLORIDE ION, Cyclin-C, Cyclin-dependent kinase 8, ... | | Authors: | Kiefer, J.R, Schneider, E.V, Maskos, K, Bergeron, P, Koehler, M. | | Deposit date: | 2016-01-28 | | Release date: | 2016-04-20 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Design and Development of a Series of Potent and Selective Type II Inhibitors of CDK8.
Acs Med.Chem.Lett., 7, 2016
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8HP3
 | | Crystal structure of meso-diaminopimelate dehydrogenase from Prevotella timonensis | | Descriptor: | 1,2-ETHANEDIOL, Meso-diaminopimelate D-dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Tan, Y, Song, W. | | Deposit date: | 2022-12-11 | | Release date: | 2023-12-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.07 Å) | | Cite: | Rational Design of Meso -Diaminopimelate Dehydrogenase with Enhanced Reductive Amination Activity for Efficient Production of d- p -Hydroxyphenylglycine.
Appl.Environ.Microbiol., 89, 2023
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8HP0
 | | Crystal structure of meso-diaminopimelate dehydrogenase from Prevotella timonensis | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Meso-diaminopimelate D-dehydrogenase, SULFATE ION | | Authors: | Tan, Y, Song, W. | | Deposit date: | 2022-12-11 | | Release date: | 2023-12-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Rational Design of Meso -Diaminopimelate Dehydrogenase with Enhanced Reductive Amination Activity for Efficient Production of d- p -Hydroxyphenylglycine.
Appl.Environ.Microbiol., 89, 2023
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8EZ0
 | | Cryo-EM structure of 4 insulins bound full-length mouse IR mutant with physically decoupled alpha CTs (C684S/C685S/C687S; denoted as IR-3CS) Symmetric conformation | | Descriptor: | Insulin, Insulin receptor | | Authors: | Li, J, Wu, J.Y, Hall, C, Bai, X.C, Choi, E. | | Deposit date: | 2022-10-29 | | Release date: | 2022-11-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Molecular basis for the role of disulfide-linked alpha CTs in the activation of insulin-like growth factor 1 receptor and insulin receptor.
Elife, 11, 2022
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8EYX
 | | Cryo-EM structure of 4 insulins bound full-length mouse IR mutant with physically decoupled alpha CTs (C684S/C685S/C687S; denoted as IR-3CS) Asymmetric conformation 1 | | Descriptor: | Insulin, Insulin receptor | | Authors: | Li, J, Wu, J.Y, Hall, C, Bai, X.C, Choi, E. | | Deposit date: | 2022-10-29 | | Release date: | 2022-11-09 | | Last modified: | 2022-12-07 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Molecular basis for the role of disulfide-linked alpha CTs in the activation of insulin-like growth factor 1 receptor and insulin receptor.
Elife, 11, 2022
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8EYR
 | | Cryo-EM structure of two IGF1 bound full-length mouse IGF1R mutant (four glycine residues inserted in the alpha-CT; IGF1R-P674G4): symmetric conformation | | Descriptor: | Insulin-like growth factor 1 receptor, Insulin-like growth factor I | | Authors: | Li, J, Wu, J.Y, Hall, C, Bai, X.C, Choi, E. | | Deposit date: | 2022-10-28 | | Release date: | 2022-11-09 | | Last modified: | 2022-12-07 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Molecular basis for the role of disulfide-linked alpha CTs in the activation of insulin-like growth factor 1 receptor and insulin receptor.
Elife, 11, 2022
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8EYY
 | | Cryo-EM structure of 4 insulins bound full-length mouse IR mutant with physically decoupled alpha CTs (C684S/C685S/C687S, denoted as IR-3CS) Asymmetric conformation 2 | | Descriptor: | Insulin, Insulin receptor | | Authors: | Li, J, Wu, J.Y, Hall, C, Bai, X.C, Choi, E. | | Deposit date: | 2022-10-29 | | Release date: | 2022-11-09 | | Last modified: | 2022-12-07 | | Method: | ELECTRON MICROSCOPY (4.9 Å) | | Cite: | Molecular basis for the role of disulfide-linked alpha CTs in the activation of insulin-like growth factor 1 receptor and insulin receptor.
Elife, 11, 2022
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4ZSE
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5BU3
 | | Crystal Structure of Diels-Alderase PyrI4 in complex with its product | | Descriptor: | (4S,4aS,6aS,8R,9R,10aR,13R,14aS,18aR,18bR)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,5,6,6a,7,8,9,10,10a,13,14,18a,18b-hexadecahydro-1H-14a,17-(metheno)benzo[b]naphtho[2,1-h]azacyclododecine-16,18(15H,17H)-dione, GLYCEROL, PyrI4 | | Authors: | Pan, L, Guo, Y, Liu, J. | | Deposit date: | 2015-06-03 | | Release date: | 2016-02-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.897 Å) | | Cite: | Enzyme-Dependent [4 + 2] Cycloaddition Depends on Lid-like Interaction of the N-Terminal Sequence with the Catalytic Core in PyrI4
Cell Chem Biol, 23, 2016
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6LDZ
 | | Crystal structure of Rv0222 from Mycobacterium tuberculosis | | Descriptor: | Probable enoyl-CoA hydratase EchA1 (Enoyl hydrase) (Unsaturated acyl-CoA hydratase) (Crotonase) | | Authors: | Li, J, Ran, Y.J, Wang, L, Wu, J.H, Ge, B.X, Rao, Z.H. | | Deposit date: | 2019-11-23 | | Release date: | 2020-01-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Host-mediated ubiquitination of a mycobacterial protein suppresses immunity.
Nature, 577, 2020
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