6LEI
 
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6LED
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6LE2
 | | Structure of D-carbamoylase mutant from Nitratireductor indicus | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, N-carbamoyl-D-amino-acid hydrolase | | Authors: | Ni, Y, Liu, Y.F, Xu, G.C, Dai, W. | | Deposit date: | 2019-11-23 | | Release date: | 2020-10-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structure-Guided Engineering of D-Carbamoylase Reveals a Key Loop at Substrate Entrance Tunnel
Acs Catalysis, 10, 2020
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8X1V
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8DGN
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8DGM
 | | 14-3-3 epsilon bound to phosphorylated PEAK1 (pT1165) peptide | | Descriptor: | 1,2-ETHANEDIOL, 14-3-3 protein epsilon, Inactive tyrosine-protein kinase PEAK1 | | Authors: | Roy, M.J, Hardy, J.M, Lucet, I.S. | | Deposit date: | 2022-06-24 | | Release date: | 2023-06-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling.
Nat Commun, 14, 2023
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8DGO
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8DGP
 | | 14-3-3 epsilon bound to phosphorylated PEAK3 (pS69) peptide | | Descriptor: | 1,2-ETHANEDIOL, 14-3-3 protein epsilon, Phosphorylated PEAK3 (pS69) peptide, ... | | Authors: | Roy, M.J, Hardy, J.M, Lucet, I.S. | | Deposit date: | 2022-06-24 | | Release date: | 2023-06-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling.
Nat Commun, 14, 2023
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7DHP
 | | Crystal structure of MazF from Deinococcus radiodurans | | Descriptor: | Endoribonuclease MazF, SULFATE ION | | Authors: | Zhao, Y, Dai, J. | | Deposit date: | 2020-11-17 | | Release date: | 2021-03-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | MazEF Toxin-Antitoxin System-Mediated DNA Damage Stress Response in Deinococcus radiodurans.
Front Genet, 12, 2021
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7COC
 | | Ternary complex of DNA polymerase Mu (K438A/Q441A) with 1-nt gapped DNA (T:dGMPNPP) | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*CP*GP*GP*CP*TP*TP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*A)-3'), ... | | Authors: | Guo, M, Zhao, Y. | | Deposit date: | 2020-08-04 | | Release date: | 2021-06-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanism of genome instability mediated by human DNA polymerase mu misincorporation.
Nat Commun, 12, 2021
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7COB
 | | Ternary complex of DNA polymerase Mu (Q441A) with 1-nt gapped DNA (T:dGMPNPP) | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*CP*GP*GP*CP*TP*TP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*A)-3'), ... | | Authors: | Guo, M, Zhao, Y. | | Deposit date: | 2020-08-04 | | Release date: | 2021-06-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.797 Å) | | Cite: | Mechanism of genome instability mediated by human DNA polymerase mu misincorporation.
Nat Commun, 12, 2021
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7CO6
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7CO9
 | | Ternary complex of DNA polymerase Mu with 1-nt gapped DNA (T:dGMPNPP) and Mg | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*CP*GP*GP*CP*TP*TP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*A)-3'), ... | | Authors: | Guo, M, Zhao, Y. | | Deposit date: | 2020-08-04 | | Release date: | 2021-06-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.599 Å) | | Cite: | Mechanism of genome instability mediated by human DNA polymerase mu misincorporation.
Nat Commun, 12, 2021
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7CO8
 | | Ternary complex of DNA polymerase Mu with 2-nt gapped DNA (T:dGMPNPP) | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*CP*GP*GP*CP*TP*TP*TP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*A)-3'), ... | | Authors: | Guo, M, Zhao, Y. | | Deposit date: | 2020-08-04 | | Release date: | 2021-06-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.697 Å) | | Cite: | Mechanism of genome instability mediated by human DNA polymerase mu misincorporation.
Nat Commun, 12, 2021
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7COD
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7COA
 | | Ternary complex of DNA polymerase Mu with 1-nt gapped DNA (T:dGMPNPP) and Mn | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*CP*GP*GP*CP*TP*TP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*A)-3'), ... | | Authors: | Guo, M, Zhao, Y. | | Deposit date: | 2020-08-04 | | Release date: | 2021-06-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Mechanism of genome instability mediated by human DNA polymerase mu misincorporation.
Nat Commun, 12, 2021
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3V9R
 | | Crystal structure of Saccharomyces cerevisiae MHF complex | | Descriptor: | SULFATE ION, Uncharacterized protein YDL160C-A, Uncharacterized protein YOL086W-A | | Authors: | Yang, H, Zhang, T, Zhong, C, Li, H, Zhou, J, Ding, J. | | Deposit date: | 2011-12-28 | | Release date: | 2012-02-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Saccharomyces Cerevisiae MHF Complex Structurally Resembles the Histones (H3-H4)(2) Heterotetramer and Functions as a Heterotetramer
Structure, 20, 2012
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5EJD
 | | The crystal structure of holo T3CT | | Descriptor: | 4'-PHOSPHOPANTETHEINE, GLYCEROL, TqaA | | Authors: | Zhang, J.R, Tang, Y, Zhou, J.H. | | Deposit date: | 2015-11-01 | | Release date: | 2016-10-19 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structural basis of nonribosomal peptide macrocyclization in fungi
Nat.Chem.Biol., 12, 2016
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5EGF
 | | The crystal structure of SeMet-CT | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, TqaA | | Authors: | Zhang, J.R, Tang, Y, Zhou, J.H. | | Deposit date: | 2015-10-27 | | Release date: | 2016-10-19 | | Last modified: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structural basis of nonribosomal peptide macrocyclization in fungi
Nat.Chem.Biol., 12, 2016
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7MCK
 | | Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 18 | | Descriptor: | N-{5-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl}-6-(1-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide, Serine/threonine-protein kinase Chk1 | | Authors: | Palte, R. | | Deposit date: | 2021-04-02 | | Release date: | 2021-06-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Optimization of brain-penetrant picolinamide derived leucine-rich repeat kinase 2 (LRRK2) inhibitors.
Rsc Med Chem, 12, 2021
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4Y87
 | | Crystal structure of phosphodiesterase 9 in complex with (R)-C33 (6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one) | | Descriptor: | 6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | Authors: | Huang, M. | | Deposit date: | 2015-02-16 | | Release date: | 2015-09-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural Asymmetry of Phosphodiesterase-9A and a Unique Pocket for Selective Binding of a Potent Enantiomeric Inhibitor.
Mol.Pharmacol., 88, 2015
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4Y86
 | | Crystal structure of PDE9 in complex with racemic inhibitor C33 | | Descriptor: | 6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, 6-{[(1S)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, ... | | Authors: | Huang, M. | | Deposit date: | 2015-02-16 | | Release date: | 2015-09-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural Asymmetry of Phosphodiesterase-9A and a Unique Pocket for Selective Binding of a Potent Enantiomeric Inhibitor.
Mol.Pharmacol., 88, 2015
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4Y8C
 | | Crystal structure of phosphodiesterase 9 in complex with (S)-C33 | | Descriptor: | 6-{[(1S)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | Authors: | Huang, M. | | Deposit date: | 2015-02-16 | | Release date: | 2015-09-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Asymmetry of Phosphodiesterase-9A and a Unique Pocket for Selective Binding of a Potent Enantiomeric Inhibitor.
Mol.Pharmacol., 88, 2015
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8YSA
 | | The co-crystal structure of SARS-CoV-2 Mpro in complex with compound H102 | | Descriptor: | 3C-like proteinase nsp5, BOC-TBG-PHE-ELL | | Authors: | Zheng, W.Y, Fu, L.F, Feng, Y, Han, P, Qi, J.X. | | Deposit date: | 2024-03-22 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery, Biological Activity, and Structural Mechanism of a Potent Inhibitor of SARS-CoV-2 Main Protease
To Be Published
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6GXS
 | | Crystal structure of CV39L lectin from Chromobacterium violaceum at 1.8 A resolution | | Descriptor: | 1,2-ETHANEDIOL, CV39L lectin, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sykorova, P, Novotna, J, Demo, G, Pompidor, G, Dubska, E, Komarek, J, Fujdiarova, E, Haronikova, L, Varrot, A, Imberty, A, Shilova, N, Bovin, N, Pokorna, M, Wimmerova, M. | | Deposit date: | 2018-06-27 | | Release date: | 2019-12-04 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Characterization of novel lectins from Burkholderia pseudomallei and Chromobacterium violaceum with seven-bladed beta-propeller fold.
Int.J.Biol.Macromol., 152, 2020
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